5-(2-cyclohexyloxy-6-methylpyrimidin-4-yl)-N-[4-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]-1,3-thiazol-2-amine;5-(2-cyclohexyloxy-6-methylpyrimidin-4-yl)-N-(4-ethyl-2-pyridinyl)-1,3-thiazol-2-amine;5-(2-cyclohexyloxy-6-methylpyrimidin-4-yl)-N-[4-[(4-methylpiperidin-1-yl)methyl]-2-pyridinyl]-1,3-thiazol-2-amine

C73H94N18O3S3 — CID 159062731

IUPAC5-(2-cyclohexyloxy-6-methylpyrimidin-4-yl)-N-[4-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]-1,3-thiazol-2-amine;5-(2-cyclohexyloxy-6-methylpyrimidin-4-yl)-N-(4-ethyl-2-pyridinyl)-1,3-thiazol-2-amine;5-(2-cyclohexyloxy-6-methylpyrimidin-4-yl)-N-[4-[(4-methylpiperidin-1-yl)methyl]-2-pyridinyl]-1,3-thiazol-2-amine
SMILESCCN1CCN(Cc2ccnc(Nc3ncc(-c4cc(C)nc(OC5CCCCC5)n4)s3)c2)CC1.CCc1ccnc(Nc2ncc(-c3cc(C)nc(OC4CCCCC4)n3)s2)c1.Cc1cc(-c2cnc(Nc3cc(CN4CCC(C)CC4)ccn3)s2)nc(OC2CCCCC2)n1
InChIInChI=1S/C26H35N7OS.C26H34N6OS.C21H25N5OS/c1-3-32-11-13-33(14-12-32)18-20-9-10-27-24(16-20)31-26-28-17-23(35-26)22-15-19(2)29-25(30-22)34-21-7-5-4-6-8-21;1-18-9-12-32(13-10-18)17-20-8-11-27-24(15-20)31-26-28-16-23(34-26)22-14-19(2)29-25(30-22)33-21-6-4-3-5-7-21;1-3-15-9-10-22-19(12-15)26-21-23-13-18(28-21)17-11-14(2)24-20(25-17)27-16-7-5-4-6-8-16/h9-10,15-17,21H,3-8,11-14,18H2,1-2H3,(H,27,28,31);8,11,14-16,18,21H,3-7,9-10,12-13,17H2,1-2H3,(H,27,28,31);9-13,16H,3-8H2,1-2H3,(H,22,23,26)
InChIKeyJYRBZOHWRRTELV-UHFFFAOYSA-N
MW1367.88 g/mol
LogP16.21
Rot. Bonds21

About 5-(2-cyclohexyloxy-6-methylpyrimidin-4-yl)-N-[4-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]-1,3-thiazol-2-amine;5-(2-cyclohexyloxy-6-methylpyrimidin-4-yl)-N-(4-ethyl-2-pyridinyl)-1,3-thiazol-2-amine;5-(2-cyclohexyloxy-6-methylpyrimidin-4-yl)-N-[4-[(4-methylpiperidin-1-yl)methyl]-2-pyridinyl]-1,3-thiazol-2-amine

5-(2-cyclohexyloxy-6-methylpyrimidin-4-yl)-N-[4-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]-1,3-thiazol-2-amine;5-(2-cyclohexyloxy-6-methylpyrimidin-4-yl)-N-(4-ethyl-2-pyridinyl)-1,3-thiazol-2-amine;5-(2-cyclohexyloxy-6-methylpyrimidin-4-yl)-N-[4-[(4-methylpiperidin-1-yl)methyl]-2-pyridinyl]-1,3-thiazol-2-amine (PubChem CID 159062731) has the molecular formula C73H94N18O3S3 and a molecular weight of 1367.88 g/mol. Its IUPAC name is 5-(2-cyclohexyloxy-6-methylpyrimidin-4-yl)-N-[4-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]-1,3-thiazol-2-amine;5-(2-cyclohexyloxy-6-methylpyrimidin-4-yl)-N-(4-ethyl-2-pyridinyl)-1,3-thiazol-2-amine;5-(2-cyclohexyloxy-6-methylpyrimidin-4-yl)-N-[4-[(4-methylpiperidin-1-yl)methyl]-2-pyridinyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(2-cyclohexyloxy-6-methylpyrimidin-4-yl)-N-[4-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]-1,3-thiazol-2-amine;5-(2-cyclohexyloxy-6-methylpyrimidin-4-yl)-N-(4-ethyl-2-pyridinyl)-1,3-thiazol-2-amine;5-(2-cyclohexyloxy-6-methylpyrimidin-4-yl)-N-[4-[(4-methylpiperidin-1-yl)methyl]-2-pyridinyl]-1,3-thiazol-2-amine
PubChem CID159062731
Molecular FormulaC73H94N18O3S3
Molecular Weight1367.88 g/mol
Exact Mass1366.69
IUPAC Name5-(2-cyclohexyloxy-6-methylpyrimidin-4-yl)-N-[4-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]-1,3-thiazol-2-amine;5-(2-cyclohexyloxy-6-methylpyrimidin-4-yl)-N-(4-ethyl-2-pyridinyl)-1,3-thiazol-2-amine;5-(2-cyclohexyloxy-6-methylpyrimidin-4-yl)-N-[4-[(4-methylpiperidin-1-yl)methyl]-2-pyridinyl]-1,3-thiazol-2-amine
SMILESCCN1CCN(Cc2ccnc(Nc3ncc(-c4cc(C)nc(OC5CCCCC5)n4)s3)c2)CC1.CCc1ccnc(Nc2ncc(-c3cc(C)nc(OC4CCCCC4)n3)s2)c1.Cc1cc(-c2cnc(Nc3cc(CN4CCC(C)CC4)ccn3)s2)nc(OC2CCCCC2)n1
InChIInChI=1S/C26H35N7OS.C26H34N6OS.C21H25N5OS/c1-3-32-11-13-33(14-12-32)18-20-9-10-27-24(16-20)31-26-28-17-23(35-26)22-15-19(2)29-25(30-22)34-21-7-5-4-6-8-21;1-18-9-12-32(13-10-18)17-20-8-11-27-24(15-20)31-26-28-16-23(34-26)22-14-19(2)29-25(30-22)33-21-6-4-3-5-7-21;1-3-15-9-10-22-19(12-15)26-21-23-13-18(28-21)17-11-14(2)24-20(25-17)27-16-7-5-4-6-8-16/h9-10,15-17,21H,3-8,11-14,18H2,1-2H3,(H,27,28,31);8,11,14-16,18,21H,3-7,9-10,12-13,17H2,1-2H3,(H,27,28,31);9-13,16H,3-8H2,1-2H3,(H,22,23,26)
InChIKeyJYRBZOHWRRTELV-UHFFFAOYSA-N
XLogP16.21
TPSA228.18 Ų
H-Bond Donors3
H-Bond Acceptors24
Rotatable Bonds21
Heavy Atoms97
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001367.88
LogP ≤ 516.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1024

Analyze 5-(2-cyclohexyloxy-6-methylpyrimidin-4-yl)-N-[4-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]-1,3-thiazol-2-amine;5-(2-cyclohexyloxy-6-methylpyrimidin-4-yl)-N-(4-ethyl-2-pyridinyl)-1,3-thiazol-2-amine;5-(2-cyclohexyloxy-6-methylpyrimidin-4-yl)-N-[4-[(4-methylpiperidin-1-yl)methyl]-2-pyridinyl]-1,3-thiazol-2-amine with MolForge

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Related Compounds

N-(5-(2-(cyclohexyloxy)-6-methylpyrimidin-4-yl)thiazol-2-yl)-5-((4-methylpiperazin-1-yl)methyl)pyrazin-2-amine
CID 16037675
N-(5-(2-(cyclohexyloxy)-5-methylpyrimidin-4-yl)thiazol-2-yl)pyridin-2-amine
CID 44413527
N-[5-[(1R)-1-(4-fluoropiperidin-1-yl)ethyl]-2-pyridinyl]-5-[2-(oxan-4-yloxy)pyrimidin-4-yl]-1,3-thiazol-2-amine
CID 172264724
5-(2-cyclohexyloxypyrimidin-4-yl)-N-[5-[(4-fluoropiperidin-1-yl)methyl]-2-pyridinyl]-1,3-thiazol-2-amine
CID 172264848
5-[2-(4,4-dimethylcyclohexyl)oxypyrimidin-4-yl]-N-[5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-2-pyridinyl]-1,3-thiazol-2-amine
CID 172264960
N-[5-[(1S)-1-(4-fluoropiperidin-1-yl)ethyl]-2-pyridinyl]-5-[2-(oxan-4-yloxy)pyrimidin-4-yl]-1,3-thiazol-2-amine
CID 172264985
5-[2-(4,4-difluorocyclohexyl)oxypyrimidin-4-yl]-N-[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]-1,3-thiazol-2-amine
CID 172265142
N-[5-[(4-fluoropiperidin-1-yl)methyl]-2-pyridinyl]-5-[2-(oxan-4-yloxy)pyrimidin-4-yl]-1,3-thiazol-2-amine
CID 172265205
N-[4-fluoro-5-[[[4-[2-[[5-(methylaminomethyl)pyrimidin-2-yl]amino]-1,3-thiazol-5-yl]-2-[(3S)-oxan-3-yl]oxypyrimidin-1-ium-1-yl]methylamino]methyl]-2-pyridinyl]-5-[2-(2-oxaspiro[3.5]nonan-7-yloxy)pyrimidin-4-yl]-1,3-thiazol-2-amine
CID 172265264
N-[5-[1-(4-fluoropiperidin-1-yl)ethyl]-2-pyridinyl]-5-[2-(oxan-4-yloxy)pyrimidin-4-yl]-1,3-thiazol-2-amine
CID 172265278
5-(2-cyclohexyloxy-6-methylpyrimidin-4-yl)-N-[4-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]-1,3-thiazol-2-amine
CID 59295144
5-(2-cyclohexyloxy-5-methylpyrimidin-4-yl)-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-1,3-thiazol-2-amine
CID 59295145

Frequently Asked Questions

What is the IUPAC name of 5-(2-cyclohexyloxy-6-methylpyrimidin-4-yl)-N-[4-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]-1,3-thiazol-2-amine;5-(2-cyclohexyloxy-6-methylpyrimidin-4-yl)-N-(4-ethyl-2-pyridinyl)-1,3-thiazol-2-amine;5-(2-cyclohexyloxy-6-methylpyrimidin-4-yl)-N-[4-[(4-methylpiperidin-1-yl)methyl]-2-pyridinyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-(2-cyclohexyloxy-6-methylpyrimidin-4-yl)-N-[4-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]-1,3-thiazol-2-amine;5-(2-cyclohexyloxy-6-methylpyrimidin-4-yl)-N-(4-ethyl-2-pyridinyl)-1,3-thiazol-2-amine;5-(2-cyclohexyloxy-6-methylpyrimidin-4-yl)-N-[4-[(4-methylpiperidin-1-yl)methyl]-2-pyridinyl]-1,3-thiazol-2-amine (CID 159062731) is 5-(2-cyclohexyloxy-6-methylpyrimidin-4-yl)-N-[4-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]-1,3-thiazol-2-amine;5-(2-cyclohexyloxy-6-methylpyrimidin-4-yl)-N-(4-ethyl-2-pyridinyl)-1,3-thiazol-2-amine;5-(2-cyclohexyloxy-6-methylpyrimidin-4-yl)-N-[4-[(4-methylpiperidin-1-yl)methyl]-2-pyridinyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(2-cyclohexyloxy-6-methylpyrimidin-4-yl)-N-[4-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]-1,3-thiazol-2-amine;5-(2-cyclohexyloxy-6-methylpyrimidin-4-yl)-N-(4-ethyl-2-pyridinyl)-1,3-thiazol-2-amine;5-(2-cyclohexyloxy-6-methylpyrimidin-4-yl)-N-[4-[(4-methylpiperidin-1-yl)methyl]-2-pyridinyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-(2-cyclohexyloxy-6-methylpyrimidin-4-yl)-N-[4-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]-1,3-thiazol-2-amine;5-(2-cyclohexyloxy-6-methylpyrimidin-4-yl)-N-(4-ethyl-2-pyridinyl)-1,3-thiazol-2-amine;5-(2-cyclohexyloxy-6-methylpyrimidin-4-yl)-N-[4-[(4-methylpiperidin-1-yl)methyl]-2-pyridinyl]-1,3-thiazol-2-amine is CCN1CCN(Cc2ccnc(Nc3ncc(-c4cc(C)nc(OC5CCCCC5)n4)s3)c2)CC1.CCc1ccnc(Nc2ncc(-c3cc(C)nc(OC4CCCCC4)n3)s2)c1.Cc1cc(-c2cnc(Nc3cc(CN4CCC(C)CC4)ccn3)s2)nc(OC2CCCCC2)n1.
What is the InChIKey of 5-(2-cyclohexyloxy-6-methylpyrimidin-4-yl)-N-[4-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]-1,3-thiazol-2-amine;5-(2-cyclohexyloxy-6-methylpyrimidin-4-yl)-N-(4-ethyl-2-pyridinyl)-1,3-thiazol-2-amine;5-(2-cyclohexyloxy-6-methylpyrimidin-4-yl)-N-[4-[(4-methylpiperidin-1-yl)methyl]-2-pyridinyl]-1,3-thiazol-2-amine?
The InChIKey is JYRBZOHWRRTELV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N7OS.C26H34N6OS.C21H25N5OS/c1-3-32-11-13-33(14-12-32)18-20-9-10-27-24(16-20)31-26-28-17-23(35-26)22-15-19(2)29-25(30-22)34-21-7-5-4-6-8-21;1-18-9-12-32(13-10-18)17-20-8-11-27-24(15-20)31-26-28-16-23(34-26)22-14-19(2)29-25(30-22)33-21-6-4-3-5-7-21;1-3-15-9-10-22-19(12-15)26-21-23-13-18(28-21)17-11-14(2)24-20(25-17)27-16-7-5-4-6-8-16/h9-10,15-17,21H,3-8,11-14,18H2,1-2H3,(H,27,28,31);8,11,14-16,18,21H,3-7,9-10,12-13,17H2,1-2H3,(H,27,28,31);9-13,16H,3-8H2,1-2H3,(H,22,23,26).
What are the key properties of 5-(2-cyclohexyloxy-6-methylpyrimidin-4-yl)-N-[4-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]-1,3-thiazol-2-amine;5-(2-cyclohexyloxy-6-methylpyrimidin-4-yl)-N-(4-ethyl-2-pyridinyl)-1,3-thiazol-2-amine;5-(2-cyclohexyloxy-6-methylpyrimidin-4-yl)-N-[4-[(4-methylpiperidin-1-yl)methyl]-2-pyridinyl]-1,3-thiazol-2-amine?
5-(2-cyclohexyloxy-6-methylpyrimidin-4-yl)-N-[4-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]-1,3-thiazol-2-amine;5-(2-cyclohexyloxy-6-methylpyrimidin-4-yl)-N-(4-ethyl-2-pyridinyl)-1,3-thiazol-2-amine;5-(2-cyclohexyloxy-6-methylpyrimidin-4-yl)-N-[4-[(4-methylpiperidin-1-yl)methyl]-2-pyridinyl]-1,3-thiazol-2-amine has a molecular weight of 1367.88 g/mol, XLogP of 16.21, 21 rotatable bonds, 3 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-cyclohexyloxy-6-methylpyrimidin-4-yl)-N-[4-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]-1,3-thiazol-2-amine;5-(2-cyclohexyloxy-6-methylpyrimidin-4-yl)-N-(4-ethyl-2-pyridinyl)-1,3-thiazol-2-amine;5-(2-cyclohexyloxy-6-methylpyrimidin-4-yl)-N-[4-[(4-methylpiperidin-1-yl)methyl]-2-pyridinyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 159062731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).