2-[2-[4-(4-acetylpiperazin-1-yl)phenoxy]pyrimidin-4-yl]-2-(1,3-benzothiazol-2-yl)acetonitrile;2-(1,3-benzothiazol-2-yl)-2-[2-(4-butoxyphenoxy)pyrimidin-4-yl]acetonitrile;2-(1,3-benzothiazol-2-yl)-2-[2-(4-methoxyphenoxy)pyrimidin-4-yl]acetonitrile;2-(1,3-benzothiazol-2-yl)-2-[2-[[4-(piperidin-1-ylmethyl)phenyl]methoxy]pyrimidin-4-yl]acetonitrile;2-(1,3-benzothiazol-2-yl)-2-[2-[(4-pyridin-2-ylphenyl)methoxy]pyrimidin-4-yl]acetonitrile;2-(1,3-benzothiazol-2-yl)-2-pyrimidin-4-ylacetonitrile;2-[2-(4-methoxyphenoxy)pyrimidin-4-yl]-2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]acetonitrile

C153H119F3N32O10S7 — CID 173238327

IUPAC2-[2-[4-(4-acetylpiperazin-1-yl)phenoxy]pyrimidin-4-yl]-2-(1,3-benzothiazol-2-yl)acetonitrile;2-(1,3-benzothiazol-2-yl)-2-[2-(4-butoxyphenoxy)pyrimidin-4-yl]acetonitrile;2-(1,3-benzothiazol-2-yl)-2-[2-(4-methoxyphenoxy)pyrimidin-4-yl]acetonitrile;2-(1,3-benzothiazol-2-yl)-2-[2-[[4-(piperidin-1-ylmethyl)phenyl]methoxy]pyrimidin-4-yl]acetonitrile;2-(1,3-benzothiazol-2-yl)-2-[2-[(4-pyridin-2-ylphenyl)methoxy]pyrimidin-4-yl]acetonitrile;2-(1,3-benzothiazol-2-yl)-2-pyrimidin-4-ylacetonitrile;2-[2-(4-methoxyphenoxy)pyrimidin-4-yl]-2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]acetonitrile
SMILESCC(=O)N1CCN(c2ccc(Oc3nccc(C(C#N)c4nc5ccccc5s4)n3)cc2)CC1.CCCCOc1ccc(Oc2nccc(C(C#N)c3nc4ccccc4s3)n2)cc1.COc1ccc(Oc2nccc(C(C#N)c3nc4cc(C(F)(F)F)ccc4s3)n2)cc1.COc1ccc(Oc2nccc(C(C#N)c3nc4ccccc4s3)n2)cc1.N#CC(c1ccnc(OCc2ccc(-c3ccccn3)cc2)n1)c1nc2ccccc2s1.N#CC(c1ccnc(OCc2ccc(CN3CCCCC3)cc2)n1)c1nc2ccccc2s1.N#CC(c1ccncn1)c1nc2ccccc2s1
InChIInChI=1S/C26H25N5OS.C25H22N6O2S.C25H17N5OS.C23H20N4O2S.C21H13F3N4O2S.C20H14N4O2S.C13H8N4S/c27-16-21(25-29-23-6-2-3-7-24(23)33-25)22-12-13-28-26(30-22)32-18-20-10-8-19(9-11-20)17-31-14-4-1-5-15-31;1-17(32)30-12-14-31(15-13-30)18-6-8-19(9-7-18)33-25-27-11-10-21(29-25)20(16-26)24-28-22-4-2-3-5-23(22)34-24;26-15-19(24-29-22-6-1-2-7-23(22)32-24)21-12-14-28-25(30-21)31-16-17-8-10-18(11-9-17)20-5-3-4-13-27-20;1-2-3-14-28-16-8-10-17(11-9-16)29-23-25-13-12-19(27-23)18(15-24)22-26-20-6-4-5-7-21(20)30-22;1-29-13-3-5-14(6-4-13)30-20-26-9-8-16(28-20)15(11-25)19-27-17-10-12(21(22,23)24)2-7-18(17)31-19;1-25-13-6-8-14(9-7-13)26-20-22-11-10-16(24-20)15(12-21)19-23-17-4-2-3-5-18(17)27-19;14-7-9(10-5-6-15-8-16-10)13-17-11-3-1-2-4-12(11)18-13/h2-3,6-13,21H,1,4-5,14-15,17-18H2;2-11,20H,12-15H2,1H3;1-14,19H,16H2;4-13,18H,2-3,14H2,1H3;2-10,15H,1H3;2-11,15H,1H3;1-6,8-9H
InChIKeyZHWFCDFUNSKPNF-UHFFFAOYSA-N
MW2847.31 g/mol
LogP33.45
Rot. Bonds38

About 2-[2-[4-(4-acetylpiperazin-1-yl)phenoxy]pyrimidin-4-yl]-2-(1,3-benzothiazol-2-yl)acetonitrile;2-(1,3-benzothiazol-2-yl)-2-[2-(4-butoxyphenoxy)pyrimidin-4-yl]acetonitrile;2-(1,3-benzothiazol-2-yl)-2-[2-(4-methoxyphenoxy)pyrimidin-4-yl]acetonitrile;2-(1,3-benzothiazol-2-yl)-2-[2-[[4-(piperidin-1-ylmethyl)phenyl]methoxy]pyrimidin-4-yl]acetonitrile;2-(1,3-benzothiazol-2-yl)-2-[2-[(4-pyridin-2-ylphenyl)methoxy]pyrimidin-4-yl]acetonitrile;2-(1,3-benzothiazol-2-yl)-2-pyrimidin-4-ylacetonitrile;2-[2-(4-methoxyphenoxy)pyrimidin-4-yl]-2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]acetonitrile

2-[2-[4-(4-acetylpiperazin-1-yl)phenoxy]pyrimidin-4-yl]-2-(1,3-benzothiazol-2-yl)acetonitrile;2-(1,3-benzothiazol-2-yl)-2-[2-(4-butoxyphenoxy)pyrimidin-4-yl]acetonitrile;2-(1,3-benzothiazol-2-yl)-2-[2-(4-methoxyphenoxy)pyrimidin-4-yl]acetonitrile;2-(1,3-benzothiazol-2-yl)-2-[2-[[4-(piperidin-1-ylmethyl)phenyl]methoxy]pyrimidin-4-yl]acetonitrile;2-(1,3-benzothiazol-2-yl)-2-[2-[(4-pyridin-2-ylphenyl)methoxy]pyrimidin-4-yl]acetonitrile;2-(1,3-benzothiazol-2-yl)-2-pyrimidin-4-ylacetonitrile;2-[2-(4-methoxyphenoxy)pyrimidin-4-yl]-2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]acetonitrile (PubChem CID 173238327) has the molecular formula C153H119F3N32O10S7 and a molecular weight of 2847.31 g/mol. Its IUPAC name is 2-[2-[4-(4-acetylpiperazin-1-yl)phenoxy]pyrimidin-4-yl]-2-(1,3-benzothiazol-2-yl)acetonitrile;2-(1,3-benzothiazol-2-yl)-2-[2-(4-butoxyphenoxy)pyrimidin-4-yl]acetonitrile;2-(1,3-benzothiazol-2-yl)-2-[2-(4-methoxyphenoxy)pyrimidin-4-yl]acetonitrile;2-(1,3-benzothiazol-2-yl)-2-[2-[[4-(piperidin-1-ylmethyl)phenyl]methoxy]pyrimidin-4-yl]acetonitrile;2-(1,3-benzothiazol-2-yl)-2-[2-[(4-pyridin-2-ylphenyl)methoxy]pyrimidin-4-yl]acetonitrile;2-(1,3-benzothiazol-2-yl)-2-pyrimidin-4-ylacetonitrile;2-[2-(4-methoxyphenoxy)pyrimidin-4-yl]-2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]acetonitrile.

Molecular Properties

Compound Name2-[2-[4-(4-acetylpiperazin-1-yl)phenoxy]pyrimidin-4-yl]-2-(1,3-benzothiazol-2-yl)acetonitrile;2-(1,3-benzothiazol-2-yl)-2-[2-(4-butoxyphenoxy)pyrimidin-4-yl]acetonitrile;2-(1,3-benzothiazol-2-yl)-2-[2-(4-methoxyphenoxy)pyrimidin-4-yl]acetonitrile;2-(1,3-benzothiazol-2-yl)-2-[2-[[4-(piperidin-1-ylmethyl)phenyl]methoxy]pyrimidin-4-yl]acetonitrile;2-(1,3-benzothiazol-2-yl)-2-[2-[(4-pyridin-2-ylphenyl)methoxy]pyrimidin-4-yl]acetonitrile;2-(1,3-benzothiazol-2-yl)-2-pyrimidin-4-ylacetonitrile;2-[2-(4-methoxyphenoxy)pyrimidin-4-yl]-2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]acetonitrile
PubChem CID173238327
Molecular FormulaC153H119F3N32O10S7
Molecular Weight2847.31 g/mol
Exact Mass2844.78
IUPAC Name2-[2-[4-(4-acetylpiperazin-1-yl)phenoxy]pyrimidin-4-yl]-2-(1,3-benzothiazol-2-yl)acetonitrile;2-(1,3-benzothiazol-2-yl)-2-[2-(4-butoxyphenoxy)pyrimidin-4-yl]acetonitrile;2-(1,3-benzothiazol-2-yl)-2-[2-(4-methoxyphenoxy)pyrimidin-4-yl]acetonitrile;2-(1,3-benzothiazol-2-yl)-2-[2-[[4-(piperidin-1-ylmethyl)phenyl]methoxy]pyrimidin-4-yl]acetonitrile;2-(1,3-benzothiazol-2-yl)-2-[2-[(4-pyridin-2-ylphenyl)methoxy]pyrimidin-4-yl]acetonitrile;2-(1,3-benzothiazol-2-yl)-2-pyrimidin-4-ylacetonitrile;2-[2-(4-methoxyphenoxy)pyrimidin-4-yl]-2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]acetonitrile
SMILESCC(=O)N1CCN(c2ccc(Oc3nccc(C(C#N)c4nc5ccccc5s4)n3)cc2)CC1.CCCCOc1ccc(Oc2nccc(C(C#N)c3nc4ccccc4s3)n2)cc1.COc1ccc(Oc2nccc(C(C#N)c3nc4cc(C(F)(F)F)ccc4s3)n2)cc1.COc1ccc(Oc2nccc(C(C#N)c3nc4ccccc4s3)n2)cc1.N#CC(c1ccnc(OCc2ccc(-c3ccccn3)cc2)n1)c1nc2ccccc2s1.N#CC(c1ccnc(OCc2ccc(CN3CCCCC3)cc2)n1)c1nc2ccccc2s1.N#CC(c1ccncn1)c1nc2ccccc2s1
InChIInChI=1S/C26H25N5OS.C25H22N6O2S.C25H17N5OS.C23H20N4O2S.C21H13F3N4O2S.C20H14N4O2S.C13H8N4S/c27-16-21(25-29-23-6-2-3-7-24(23)33-25)22-12-13-28-26(30-22)32-18-20-10-8-19(9-11-20)17-31-14-4-1-5-15-31;1-17(32)30-12-14-31(15-13-30)18-6-8-19(9-7-18)33-25-27-11-10-21(29-25)20(16-26)24-28-22-4-2-3-5-23(22)34-24;26-15-19(24-29-22-6-1-2-7-23(22)32-24)21-12-14-28-25(30-21)31-16-17-8-10-18(11-9-17)20-5-3-4-13-27-20;1-2-3-14-28-16-8-10-17(11-9-16)29-23-25-13-12-19(27-23)18(15-24)22-26-20-6-4-5-7-21(20)30-22;1-29-13-3-5-14(6-4-13)30-20-26-9-8-16(28-20)15(11-25)19-27-17-10-12(21(22,23)24)2-7-18(17)31-19;1-25-13-6-8-14(9-7-13)26-20-22-11-10-16(24-20)15(12-21)19-23-17-4-2-3-5-18(17)27-19;14-7-9(10-5-6-15-8-16-10)13-17-11-3-1-2-4-12(11)18-13/h2-3,6-13,21H,1,4-5,14-15,17-18H2;2-11,20H,12-15H2,1H3;1-14,19H,16H2;4-13,18H,2-3,14H2,1H3;2-10,15H,1H3;2-11,15H,1H3;1-6,8-9H
InChIKeyZHWFCDFUNSKPNF-UHFFFAOYSA-N
XLogP33.45
TPSA559.97 Ų
H-Bond Donors
H-Bond Acceptors48
Rotatable Bonds38
Heavy Atoms205
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002847.31
LogP ≤ 533.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1048

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[2-[4-(4-acetylpiperazin-1-yl)phenoxy]pyrimidin-4-yl]-2-(1,3-benzothiazol-2-yl)acetonitrile;2-(1,3-benzothiazol-2-yl)-2-[2-(4-butoxyphenoxy)pyrimidin-4-yl]acetonitrile;2-(1,3-benzothiazol-2-yl)-2-[2-(4-methoxyphenoxy)pyrimidin-4-yl]acetonitrile;2-(1,3-benzothiazol-2-yl)-2-[2-[[4-(piperidin-1-ylmethyl)phenyl]methoxy]pyrimidin-4-yl]acetonitrile;2-(1,3-benzothiazol-2-yl)-2-[2-[(4-pyridin-2-ylphenyl)methoxy]pyrimidin-4-yl]acetonitrile;2-(1,3-benzothiazol-2-yl)-2-pyrimidin-4-ylacetonitrile;2-[2-(4-methoxyphenoxy)pyrimidin-4-yl]-2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]acetonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(4-acetylpiperazin-1-yl)phenoxy]pyrimidin-4-yl]-2-(1,3-benzothiazol-2-yl)acetonitrile;2-(1,3-benzothiazol-2-yl)-2-[2-(4-butoxyphenoxy)pyrimidin-4-yl]acetonitrile;2-(1,3-benzothiazol-2-yl)-2-[2-(4-methoxyphenoxy)pyrimidin-4-yl]acetonitrile;2-(1,3-benzothiazol-2-yl)-2-[2-[[4-(piperidin-1-ylmethyl)phenyl]methoxy]pyrimidin-4-yl]acetonitrile;2-(1,3-benzothiazol-2-yl)-2-[2-[(4-pyridin-2-ylphenyl)methoxy]pyrimidin-4-yl]acetonitrile;2-(1,3-benzothiazol-2-yl)-2-pyrimidin-4-ylacetonitrile;2-[2-(4-methoxyphenoxy)pyrimidin-4-yl]-2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]acetonitrile?
The IUPAC name of 2-[2-[4-(4-acetylpiperazin-1-yl)phenoxy]pyrimidin-4-yl]-2-(1,3-benzothiazol-2-yl)acetonitrile;2-(1,3-benzothiazol-2-yl)-2-[2-(4-butoxyphenoxy)pyrimidin-4-yl]acetonitrile;2-(1,3-benzothiazol-2-yl)-2-[2-(4-methoxyphenoxy)pyrimidin-4-yl]acetonitrile;2-(1,3-benzothiazol-2-yl)-2-[2-[[4-(piperidin-1-ylmethyl)phenyl]methoxy]pyrimidin-4-yl]acetonitrile;2-(1,3-benzothiazol-2-yl)-2-[2-[(4-pyridin-2-ylphenyl)methoxy]pyrimidin-4-yl]acetonitrile;2-(1,3-benzothiazol-2-yl)-2-pyrimidin-4-ylacetonitrile;2-[2-(4-methoxyphenoxy)pyrimidin-4-yl]-2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]acetonitrile (CID 173238327) is 2-[2-[4-(4-acetylpiperazin-1-yl)phenoxy]pyrimidin-4-yl]-2-(1,3-benzothiazol-2-yl)acetonitrile;2-(1,3-benzothiazol-2-yl)-2-[2-(4-butoxyphenoxy)pyrimidin-4-yl]acetonitrile;2-(1,3-benzothiazol-2-yl)-2-[2-(4-methoxyphenoxy)pyrimidin-4-yl]acetonitrile;2-(1,3-benzothiazol-2-yl)-2-[2-[[4-(piperidin-1-ylmethyl)phenyl]methoxy]pyrimidin-4-yl]acetonitrile;2-(1,3-benzothiazol-2-yl)-2-[2-[(4-pyridin-2-ylphenyl)methoxy]pyrimidin-4-yl]acetonitrile;2-(1,3-benzothiazol-2-yl)-2-pyrimidin-4-ylacetonitrile;2-[2-(4-methoxyphenoxy)pyrimidin-4-yl]-2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]acetonitrile.
What is the SMILES notation for 2-[2-[4-(4-acetylpiperazin-1-yl)phenoxy]pyrimidin-4-yl]-2-(1,3-benzothiazol-2-yl)acetonitrile;2-(1,3-benzothiazol-2-yl)-2-[2-(4-butoxyphenoxy)pyrimidin-4-yl]acetonitrile;2-(1,3-benzothiazol-2-yl)-2-[2-(4-methoxyphenoxy)pyrimidin-4-yl]acetonitrile;2-(1,3-benzothiazol-2-yl)-2-[2-[[4-(piperidin-1-ylmethyl)phenyl]methoxy]pyrimidin-4-yl]acetonitrile;2-(1,3-benzothiazol-2-yl)-2-[2-[(4-pyridin-2-ylphenyl)methoxy]pyrimidin-4-yl]acetonitrile;2-(1,3-benzothiazol-2-yl)-2-pyrimidin-4-ylacetonitrile;2-[2-(4-methoxyphenoxy)pyrimidin-4-yl]-2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]acetonitrile?
The canonical SMILES for 2-[2-[4-(4-acetylpiperazin-1-yl)phenoxy]pyrimidin-4-yl]-2-(1,3-benzothiazol-2-yl)acetonitrile;2-(1,3-benzothiazol-2-yl)-2-[2-(4-butoxyphenoxy)pyrimidin-4-yl]acetonitrile;2-(1,3-benzothiazol-2-yl)-2-[2-(4-methoxyphenoxy)pyrimidin-4-yl]acetonitrile;2-(1,3-benzothiazol-2-yl)-2-[2-[[4-(piperidin-1-ylmethyl)phenyl]methoxy]pyrimidin-4-yl]acetonitrile;2-(1,3-benzothiazol-2-yl)-2-[2-[(4-pyridin-2-ylphenyl)methoxy]pyrimidin-4-yl]acetonitrile;2-(1,3-benzothiazol-2-yl)-2-pyrimidin-4-ylacetonitrile;2-[2-(4-methoxyphenoxy)pyrimidin-4-yl]-2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]acetonitrile is CC(=O)N1CCN(c2ccc(Oc3nccc(C(C#N)c4nc5ccccc5s4)n3)cc2)CC1.CCCCOc1ccc(Oc2nccc(C(C#N)c3nc4ccccc4s3)n2)cc1.COc1ccc(Oc2nccc(C(C#N)c3nc4cc(C(F)(F)F)ccc4s3)n2)cc1.COc1ccc(Oc2nccc(C(C#N)c3nc4ccccc4s3)n2)cc1.N#CC(c1ccnc(OCc2ccc(-c3ccccn3)cc2)n1)c1nc2ccccc2s1.N#CC(c1ccnc(OCc2ccc(CN3CCCCC3)cc2)n1)c1nc2ccccc2s1.N#CC(c1ccncn1)c1nc2ccccc2s1.
What is the InChIKey of 2-[2-[4-(4-acetylpiperazin-1-yl)phenoxy]pyrimidin-4-yl]-2-(1,3-benzothiazol-2-yl)acetonitrile;2-(1,3-benzothiazol-2-yl)-2-[2-(4-butoxyphenoxy)pyrimidin-4-yl]acetonitrile;2-(1,3-benzothiazol-2-yl)-2-[2-(4-methoxyphenoxy)pyrimidin-4-yl]acetonitrile;2-(1,3-benzothiazol-2-yl)-2-[2-[[4-(piperidin-1-ylmethyl)phenyl]methoxy]pyrimidin-4-yl]acetonitrile;2-(1,3-benzothiazol-2-yl)-2-[2-[(4-pyridin-2-ylphenyl)methoxy]pyrimidin-4-yl]acetonitrile;2-(1,3-benzothiazol-2-yl)-2-pyrimidin-4-ylacetonitrile;2-[2-(4-methoxyphenoxy)pyrimidin-4-yl]-2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]acetonitrile?
The InChIKey is ZHWFCDFUNSKPNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5OS.C25H22N6O2S.C25H17N5OS.C23H20N4O2S.C21H13F3N4O2S.C20H14N4O2S.C13H8N4S/c27-16-21(25-29-23-6-2-3-7-24(23)33-25)22-12-13-28-26(30-22)32-18-20-10-8-19(9-11-20)17-31-14-4-1-5-15-31;1-17(32)30-12-14-31(15-13-30)18-6-8-19(9-7-18)33-25-27-11-10-21(29-25)20(16-26)24-28-22-4-2-3-5-23(22)34-24;26-15-19(24-29-22-6-1-2-7-23(22)32-24)21-12-14-28-25(30-21)31-16-17-8-10-18(11-9-17)20-5-3-4-13-27-20;1-2-3-14-28-16-8-10-17(11-9-16)29-23-25-13-12-19(27-23)18(15-24)22-26-20-6-4-5-7-21(20)30-22;1-29-13-3-5-14(6-4-13)30-20-26-9-8-16(28-20)15(11-25)19-27-17-10-12(21(22,23)24)2-7-18(17)31-19;1-25-13-6-8-14(9-7-13)26-20-22-11-10-16(24-20)15(12-21)19-23-17-4-2-3-5-18(17)27-19;14-7-9(10-5-6-15-8-16-10)13-17-11-3-1-2-4-12(11)18-13/h2-3,6-13,21H,1,4-5,14-15,17-18H2;2-11,20H,12-15H2,1H3;1-14,19H,16H2;4-13,18H,2-3,14H2,1H3;2-10,15H,1H3;2-11,15H,1H3;1-6,8-9H.
What are the key properties of 2-[2-[4-(4-acetylpiperazin-1-yl)phenoxy]pyrimidin-4-yl]-2-(1,3-benzothiazol-2-yl)acetonitrile;2-(1,3-benzothiazol-2-yl)-2-[2-(4-butoxyphenoxy)pyrimidin-4-yl]acetonitrile;2-(1,3-benzothiazol-2-yl)-2-[2-(4-methoxyphenoxy)pyrimidin-4-yl]acetonitrile;2-(1,3-benzothiazol-2-yl)-2-[2-[[4-(piperidin-1-ylmethyl)phenyl]methoxy]pyrimidin-4-yl]acetonitrile;2-(1,3-benzothiazol-2-yl)-2-[2-[(4-pyridin-2-ylphenyl)methoxy]pyrimidin-4-yl]acetonitrile;2-(1,3-benzothiazol-2-yl)-2-pyrimidin-4-ylacetonitrile;2-[2-(4-methoxyphenoxy)pyrimidin-4-yl]-2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]acetonitrile?
2-[2-[4-(4-acetylpiperazin-1-yl)phenoxy]pyrimidin-4-yl]-2-(1,3-benzothiazol-2-yl)acetonitrile;2-(1,3-benzothiazol-2-yl)-2-[2-(4-butoxyphenoxy)pyrimidin-4-yl]acetonitrile;2-(1,3-benzothiazol-2-yl)-2-[2-(4-methoxyphenoxy)pyrimidin-4-yl]acetonitrile;2-(1,3-benzothiazol-2-yl)-2-[2-[[4-(piperidin-1-ylmethyl)phenyl]methoxy]pyrimidin-4-yl]acetonitrile;2-(1,3-benzothiazol-2-yl)-2-[2-[(4-pyridin-2-ylphenyl)methoxy]pyrimidin-4-yl]acetonitrile;2-(1,3-benzothiazol-2-yl)-2-pyrimidin-4-ylacetonitrile;2-[2-(4-methoxyphenoxy)pyrimidin-4-yl]-2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]acetonitrile has a molecular weight of 2847.31 g/mol, XLogP of 33.45, 38 rotatable bonds, 0 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(4-acetylpiperazin-1-yl)phenoxy]pyrimidin-4-yl]-2-(1,3-benzothiazol-2-yl)acetonitrile;2-(1,3-benzothiazol-2-yl)-2-[2-(4-butoxyphenoxy)pyrimidin-4-yl]acetonitrile;2-(1,3-benzothiazol-2-yl)-2-[2-(4-methoxyphenoxy)pyrimidin-4-yl]acetonitrile;2-(1,3-benzothiazol-2-yl)-2-[2-[[4-(piperidin-1-ylmethyl)phenyl]methoxy]pyrimidin-4-yl]acetonitrile;2-(1,3-benzothiazol-2-yl)-2-[2-[(4-pyridin-2-ylphenyl)methoxy]pyrimidin-4-yl]acetonitrile;2-(1,3-benzothiazol-2-yl)-2-pyrimidin-4-ylacetonitrile;2-[2-(4-methoxyphenoxy)pyrimidin-4-yl]-2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]acetonitrile is sourced from PubChem (CID 173238327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).