methane;6-(5-methoxy-3-pyridinyl)-N-(6-methylpyridazin-3-yl)-1,3-benzothiazol-2-amine;N-(1-methylpyrazol-4-yl)-6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-amine;6-(5-methyl-3-pyridinyl)-N-(6-methyl-3-pyridinyl)-1,3-benzothiazol-2-amine;6-(5-methyl-3-pyridinyl)-N-(6-morpholin-4-yl-3-pyridinyl)-1,3-benzothiazol-2-amine;6-(5-methyl-3-pyridinyl)-N-phenyl-1,3-benzothiazol-2-amine;6-(5-methyl-3-pyridinyl)-N-pyridin-4-yl-1,3-benzothiazol-2-amine

C115H104N26O2S6 — CID 160581546

IUPACmethane;6-(5-methoxy-3-pyridinyl)-N-(6-methylpyridazin-3-yl)-1,3-benzothiazol-2-amine;N-(1-methylpyrazol-4-yl)-6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-amine;6-(5-methyl-3-pyridinyl)-N-(6-methyl-3-pyridinyl)-1,3-benzothiazol-2-amine;6-(5-methyl-3-pyridinyl)-N-(6-morpholin-4-yl-3-pyridinyl)-1,3-benzothiazol-2-amine;6-(5-methyl-3-pyridinyl)-N-phenyl-1,3-benzothiazol-2-amine;6-(5-methyl-3-pyridinyl)-N-pyridin-4-yl-1,3-benzothiazol-2-amine
SMILESC.C.COc1cncc(-c2ccc3nc(Nc4ccc(C)nn4)sc3c2)c1.Cc1cncc(-c2ccc3nc(Nc4ccc(C)nc4)sc3c2)c1.Cc1cncc(-c2ccc3nc(Nc4ccc(N5CCOCC5)nc4)sc3c2)c1.Cc1cncc(-c2ccc3nc(Nc4ccccc4)sc3c2)c1.Cc1cncc(-c2ccc3nc(Nc4ccncc4)sc3c2)c1.Cc1cncc(-c2ccc3nc(Nc4cnn(C)c4)sc3c2)c1
InChIInChI=1S/C22H21N5OS.C19H16N4S.C19H15N3S.C18H15N5OS.C18H14N4S.C17H15N5S.2CH4/c1-15-10-17(13-23-12-15)16-2-4-19-20(11-16)29-22(26-19)25-18-3-5-21(24-14-18)27-6-8-28-9-7-27;1-12-7-15(10-20-9-12)14-4-6-17-18(8-14)24-19(23-17)22-16-5-3-13(2)21-11-16;1-13-9-15(12-20-11-13)14-7-8-17-18(10-14)23-19(22-17)21-16-5-3-2-4-6-16;1-11-3-6-17(23-22-11)21-18-20-15-5-4-12(8-16(15)25-18)13-7-14(24-2)10-19-9-13;1-12-8-14(11-20-10-12)13-2-3-16-17(9-13)23-18(22-16)21-15-4-6-19-7-5-15;1-11-5-13(8-18-7-11)12-3-4-15-16(6-12)23-17(21-15)20-14-9-19-22(2)10-14;;/h2-5,10-14H,6-9H2,1H3,(H,25,26);3-11H,1-2H3,(H,22,23);2-12H,1H3,(H,21,22);3-10H,1-2H3,(H,20,21,23);2-11H,1H3,(H,19,21,22);3-10H,1-2H3,(H,20,21);2*1H4
InChIKeyRBVUNGQLNPPUBF-UHFFFAOYSA-N
MW2074.68 g/mol
LogP29.60
Rot. Bonds20

About methane;6-(5-methoxy-3-pyridinyl)-N-(6-methylpyridazin-3-yl)-1,3-benzothiazol-2-amine;N-(1-methylpyrazol-4-yl)-6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-amine;6-(5-methyl-3-pyridinyl)-N-(6-methyl-3-pyridinyl)-1,3-benzothiazol-2-amine;6-(5-methyl-3-pyridinyl)-N-(6-morpholin-4-yl-3-pyridinyl)-1,3-benzothiazol-2-amine;6-(5-methyl-3-pyridinyl)-N-phenyl-1,3-benzothiazol-2-amine;6-(5-methyl-3-pyridinyl)-N-pyridin-4-yl-1,3-benzothiazol-2-amine

methane;6-(5-methoxy-3-pyridinyl)-N-(6-methylpyridazin-3-yl)-1,3-benzothiazol-2-amine;N-(1-methylpyrazol-4-yl)-6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-amine;6-(5-methyl-3-pyridinyl)-N-(6-methyl-3-pyridinyl)-1,3-benzothiazol-2-amine;6-(5-methyl-3-pyridinyl)-N-(6-morpholin-4-yl-3-pyridinyl)-1,3-benzothiazol-2-amine;6-(5-methyl-3-pyridinyl)-N-phenyl-1,3-benzothiazol-2-amine;6-(5-methyl-3-pyridinyl)-N-pyridin-4-yl-1,3-benzothiazol-2-amine (PubChem CID 160581546) has the molecular formula C115H104N26O2S6 and a molecular weight of 2074.68 g/mol. Its IUPAC name is methane;6-(5-methoxy-3-pyridinyl)-N-(6-methylpyridazin-3-yl)-1,3-benzothiazol-2-amine;N-(1-methylpyrazol-4-yl)-6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-amine;6-(5-methyl-3-pyridinyl)-N-(6-methyl-3-pyridinyl)-1,3-benzothiazol-2-amine;6-(5-methyl-3-pyridinyl)-N-(6-morpholin-4-yl-3-pyridinyl)-1,3-benzothiazol-2-amine;6-(5-methyl-3-pyridinyl)-N-phenyl-1,3-benzothiazol-2-amine;6-(5-methyl-3-pyridinyl)-N-pyridin-4-yl-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Namemethane;6-(5-methoxy-3-pyridinyl)-N-(6-methylpyridazin-3-yl)-1,3-benzothiazol-2-amine;N-(1-methylpyrazol-4-yl)-6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-amine;6-(5-methyl-3-pyridinyl)-N-(6-methyl-3-pyridinyl)-1,3-benzothiazol-2-amine;6-(5-methyl-3-pyridinyl)-N-(6-morpholin-4-yl-3-pyridinyl)-1,3-benzothiazol-2-amine;6-(5-methyl-3-pyridinyl)-N-phenyl-1,3-benzothiazol-2-amine;6-(5-methyl-3-pyridinyl)-N-pyridin-4-yl-1,3-benzothiazol-2-amine
PubChem CID160581546
Molecular FormulaC115H104N26O2S6
Molecular Weight2074.68 g/mol
Exact Mass2072.72
IUPAC Namemethane;6-(5-methoxy-3-pyridinyl)-N-(6-methylpyridazin-3-yl)-1,3-benzothiazol-2-amine;N-(1-methylpyrazol-4-yl)-6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-amine;6-(5-methyl-3-pyridinyl)-N-(6-methyl-3-pyridinyl)-1,3-benzothiazol-2-amine;6-(5-methyl-3-pyridinyl)-N-(6-morpholin-4-yl-3-pyridinyl)-1,3-benzothiazol-2-amine;6-(5-methyl-3-pyridinyl)-N-phenyl-1,3-benzothiazol-2-amine;6-(5-methyl-3-pyridinyl)-N-pyridin-4-yl-1,3-benzothiazol-2-amine
SMILESC.C.COc1cncc(-c2ccc3nc(Nc4ccc(C)nn4)sc3c2)c1.Cc1cncc(-c2ccc3nc(Nc4ccc(C)nc4)sc3c2)c1.Cc1cncc(-c2ccc3nc(Nc4ccc(N5CCOCC5)nc4)sc3c2)c1.Cc1cncc(-c2ccc3nc(Nc4ccccc4)sc3c2)c1.Cc1cncc(-c2ccc3nc(Nc4ccncc4)sc3c2)c1.Cc1cncc(-c2ccc3nc(Nc4cnn(C)c4)sc3c2)c1
InChIInChI=1S/C22H21N5OS.C19H16N4S.C19H15N3S.C18H15N5OS.C18H14N4S.C17H15N5S.2CH4/c1-15-10-17(13-23-12-15)16-2-4-19-20(11-16)29-22(26-19)25-18-3-5-21(24-14-18)27-6-8-28-9-7-27;1-12-7-15(10-20-9-12)14-4-6-17-18(8-14)24-19(23-17)22-16-5-3-13(2)21-11-16;1-13-9-15(12-20-11-13)14-7-8-17-18(10-14)23-19(22-17)21-16-5-3-2-4-6-16;1-11-3-6-17(23-22-11)21-18-20-15-5-4-12(8-16(15)25-18)13-7-14(24-2)10-19-9-13;1-12-8-14(11-20-10-12)13-2-3-16-17(9-13)23-18(22-16)21-15-4-6-19-7-5-15;1-11-5-13(8-18-7-11)12-3-4-15-16(6-12)23-17(21-15)20-14-9-19-22(2)10-14;;/h2-5,10-14H,6-9H2,1H3,(H,25,26);3-11H,1-2H3,(H,22,23);2-12H,1H3,(H,21,22);3-10H,1-2H3,(H,20,21,23);2-11H,1H3,(H,19,21,22);3-10H,1-2H3,(H,20,21);2*1H4
InChIKeyRBVUNGQLNPPUBF-UHFFFAOYSA-N
XLogP29.60
TPSA330.83 Ų
H-Bond Donors6
H-Bond Acceptors34
Rotatable Bonds20
Heavy Atoms149
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002074.68
LogP ≤ 529.60
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1034

Analyze methane;6-(5-methoxy-3-pyridinyl)-N-(6-methylpyridazin-3-yl)-1,3-benzothiazol-2-amine;N-(1-methylpyrazol-4-yl)-6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-amine;6-(5-methyl-3-pyridinyl)-N-(6-methyl-3-pyridinyl)-1,3-benzothiazol-2-amine;6-(5-methyl-3-pyridinyl)-N-(6-morpholin-4-yl-3-pyridinyl)-1,3-benzothiazol-2-amine;6-(5-methyl-3-pyridinyl)-N-phenyl-1,3-benzothiazol-2-amine;6-(5-methyl-3-pyridinyl)-N-pyridin-4-yl-1,3-benzothiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methane;6-(5-methoxy-3-pyridinyl)-N-(6-methylpyridazin-3-yl)-1,3-benzothiazol-2-amine;N-(1-methylpyrazol-4-yl)-6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-amine;6-(5-methyl-3-pyridinyl)-N-(6-methyl-3-pyridinyl)-1,3-benzothiazol-2-amine;6-(5-methyl-3-pyridinyl)-N-(6-morpholin-4-yl-3-pyridinyl)-1,3-benzothiazol-2-amine;6-(5-methyl-3-pyridinyl)-N-phenyl-1,3-benzothiazol-2-amine;6-(5-methyl-3-pyridinyl)-N-pyridin-4-yl-1,3-benzothiazol-2-amine?
The IUPAC name of methane;6-(5-methoxy-3-pyridinyl)-N-(6-methylpyridazin-3-yl)-1,3-benzothiazol-2-amine;N-(1-methylpyrazol-4-yl)-6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-amine;6-(5-methyl-3-pyridinyl)-N-(6-methyl-3-pyridinyl)-1,3-benzothiazol-2-amine;6-(5-methyl-3-pyridinyl)-N-(6-morpholin-4-yl-3-pyridinyl)-1,3-benzothiazol-2-amine;6-(5-methyl-3-pyridinyl)-N-phenyl-1,3-benzothiazol-2-amine;6-(5-methyl-3-pyridinyl)-N-pyridin-4-yl-1,3-benzothiazol-2-amine (CID 160581546) is methane;6-(5-methoxy-3-pyridinyl)-N-(6-methylpyridazin-3-yl)-1,3-benzothiazol-2-amine;N-(1-methylpyrazol-4-yl)-6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-amine;6-(5-methyl-3-pyridinyl)-N-(6-methyl-3-pyridinyl)-1,3-benzothiazol-2-amine;6-(5-methyl-3-pyridinyl)-N-(6-morpholin-4-yl-3-pyridinyl)-1,3-benzothiazol-2-amine;6-(5-methyl-3-pyridinyl)-N-phenyl-1,3-benzothiazol-2-amine;6-(5-methyl-3-pyridinyl)-N-pyridin-4-yl-1,3-benzothiazol-2-amine.
What is the SMILES notation for methane;6-(5-methoxy-3-pyridinyl)-N-(6-methylpyridazin-3-yl)-1,3-benzothiazol-2-amine;N-(1-methylpyrazol-4-yl)-6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-amine;6-(5-methyl-3-pyridinyl)-N-(6-methyl-3-pyridinyl)-1,3-benzothiazol-2-amine;6-(5-methyl-3-pyridinyl)-N-(6-morpholin-4-yl-3-pyridinyl)-1,3-benzothiazol-2-amine;6-(5-methyl-3-pyridinyl)-N-phenyl-1,3-benzothiazol-2-amine;6-(5-methyl-3-pyridinyl)-N-pyridin-4-yl-1,3-benzothiazol-2-amine?
The canonical SMILES for methane;6-(5-methoxy-3-pyridinyl)-N-(6-methylpyridazin-3-yl)-1,3-benzothiazol-2-amine;N-(1-methylpyrazol-4-yl)-6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-amine;6-(5-methyl-3-pyridinyl)-N-(6-methyl-3-pyridinyl)-1,3-benzothiazol-2-amine;6-(5-methyl-3-pyridinyl)-N-(6-morpholin-4-yl-3-pyridinyl)-1,3-benzothiazol-2-amine;6-(5-methyl-3-pyridinyl)-N-phenyl-1,3-benzothiazol-2-amine;6-(5-methyl-3-pyridinyl)-N-pyridin-4-yl-1,3-benzothiazol-2-amine is C.C.COc1cncc(-c2ccc3nc(Nc4ccc(C)nn4)sc3c2)c1.Cc1cncc(-c2ccc3nc(Nc4ccc(C)nc4)sc3c2)c1.Cc1cncc(-c2ccc3nc(Nc4ccc(N5CCOCC5)nc4)sc3c2)c1.Cc1cncc(-c2ccc3nc(Nc4ccccc4)sc3c2)c1.Cc1cncc(-c2ccc3nc(Nc4ccncc4)sc3c2)c1.Cc1cncc(-c2ccc3nc(Nc4cnn(C)c4)sc3c2)c1.
What is the InChIKey of methane;6-(5-methoxy-3-pyridinyl)-N-(6-methylpyridazin-3-yl)-1,3-benzothiazol-2-amine;N-(1-methylpyrazol-4-yl)-6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-amine;6-(5-methyl-3-pyridinyl)-N-(6-methyl-3-pyridinyl)-1,3-benzothiazol-2-amine;6-(5-methyl-3-pyridinyl)-N-(6-morpholin-4-yl-3-pyridinyl)-1,3-benzothiazol-2-amine;6-(5-methyl-3-pyridinyl)-N-phenyl-1,3-benzothiazol-2-amine;6-(5-methyl-3-pyridinyl)-N-pyridin-4-yl-1,3-benzothiazol-2-amine?
The InChIKey is RBVUNGQLNPPUBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5OS.C19H16N4S.C19H15N3S.C18H15N5OS.C18H14N4S.C17H15N5S.2CH4/c1-15-10-17(13-23-12-15)16-2-4-19-20(11-16)29-22(26-19)25-18-3-5-21(24-14-18)27-6-8-28-9-7-27;1-12-7-15(10-20-9-12)14-4-6-17-18(8-14)24-19(23-17)22-16-5-3-13(2)21-11-16;1-13-9-15(12-20-11-13)14-7-8-17-18(10-14)23-19(22-17)21-16-5-3-2-4-6-16;1-11-3-6-17(23-22-11)21-18-20-15-5-4-12(8-16(15)25-18)13-7-14(24-2)10-19-9-13;1-12-8-14(11-20-10-12)13-2-3-16-17(9-13)23-18(22-16)21-15-4-6-19-7-5-15;1-11-5-13(8-18-7-11)12-3-4-15-16(6-12)23-17(21-15)20-14-9-19-22(2)10-14;;/h2-5,10-14H,6-9H2,1H3,(H,25,26);3-11H,1-2H3,(H,22,23);2-12H,1H3,(H,21,22);3-10H,1-2H3,(H,20,21,23);2-11H,1H3,(H,19,21,22);3-10H,1-2H3,(H,20,21);2*1H4.
What are the key properties of methane;6-(5-methoxy-3-pyridinyl)-N-(6-methylpyridazin-3-yl)-1,3-benzothiazol-2-amine;N-(1-methylpyrazol-4-yl)-6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-amine;6-(5-methyl-3-pyridinyl)-N-(6-methyl-3-pyridinyl)-1,3-benzothiazol-2-amine;6-(5-methyl-3-pyridinyl)-N-(6-morpholin-4-yl-3-pyridinyl)-1,3-benzothiazol-2-amine;6-(5-methyl-3-pyridinyl)-N-phenyl-1,3-benzothiazol-2-amine;6-(5-methyl-3-pyridinyl)-N-pyridin-4-yl-1,3-benzothiazol-2-amine?
methane;6-(5-methoxy-3-pyridinyl)-N-(6-methylpyridazin-3-yl)-1,3-benzothiazol-2-amine;N-(1-methylpyrazol-4-yl)-6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-amine;6-(5-methyl-3-pyridinyl)-N-(6-methyl-3-pyridinyl)-1,3-benzothiazol-2-amine;6-(5-methyl-3-pyridinyl)-N-(6-morpholin-4-yl-3-pyridinyl)-1,3-benzothiazol-2-amine;6-(5-methyl-3-pyridinyl)-N-phenyl-1,3-benzothiazol-2-amine;6-(5-methyl-3-pyridinyl)-N-pyridin-4-yl-1,3-benzothiazol-2-amine has a molecular weight of 2074.68 g/mol, XLogP of 29.60, 20 rotatable bonds, 6 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for methane;6-(5-methoxy-3-pyridinyl)-N-(6-methylpyridazin-3-yl)-1,3-benzothiazol-2-amine;N-(1-methylpyrazol-4-yl)-6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-amine;6-(5-methyl-3-pyridinyl)-N-(6-methyl-3-pyridinyl)-1,3-benzothiazol-2-amine;6-(5-methyl-3-pyridinyl)-N-(6-morpholin-4-yl-3-pyridinyl)-1,3-benzothiazol-2-amine;6-(5-methyl-3-pyridinyl)-N-phenyl-1,3-benzothiazol-2-amine;6-(5-methyl-3-pyridinyl)-N-pyridin-4-yl-1,3-benzothiazol-2-amine is sourced from PubChem (CID 160581546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).