4-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]benzamide;2-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]benzonitrile

C42H32N10OS2 — CID 67324103

IUPAC4-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]benzamide;2-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]benzonitrile
SMILESCc1ccnc(Nc2cccc(-c3cnc(-c4ccc(C(N)=O)cc4)s3)n2)c1.Cc1ccnc(Nc2cccc(-c3cnc(-c4ccccc4C#N)s3)n2)c1
InChIInChI=1S/C21H17N5OS.C21H15N5S/c1-13-9-10-23-19(11-13)26-18-4-2-3-16(25-18)17-12-24-21(28-17)15-7-5-14(6-8-15)20(22)27;1-14-9-10-23-20(11-14)26-19-8-4-7-17(25-19)18-13-24-21(27-18)16-6-3-2-5-15(16)12-22/h2-12H,1H3,(H2,22,27)(H,23,25,26);2-11,13H,1H3,(H,23,25,26)
InChIKeyWZNZHQXNYQMZFN-UHFFFAOYSA-N
MW756.92 g/mol
LogP9.61
Rot. Bonds9

About 4-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]benzamide;2-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]benzonitrile

4-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]benzamide;2-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]benzonitrile (PubChem CID 67324103) has the molecular formula C42H32N10OS2 and a molecular weight of 756.92 g/mol. Its IUPAC name is 4-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]benzamide;2-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]benzonitrile.

Molecular Properties

Compound Name4-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]benzamide;2-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]benzonitrile
PubChem CID67324103
Molecular FormulaC42H32N10OS2
Molecular Weight756.92 g/mol
Exact Mass756.22
IUPAC Name4-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]benzamide;2-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]benzonitrile
SMILESCc1ccnc(Nc2cccc(-c3cnc(-c4ccc(C(N)=O)cc4)s3)n2)c1.Cc1ccnc(Nc2cccc(-c3cnc(-c4ccccc4C#N)s3)n2)c1
InChIInChI=1S/C21H17N5OS.C21H15N5S/c1-13-9-10-23-19(11-13)26-18-4-2-3-16(25-18)17-12-24-21(28-17)15-7-5-14(6-8-15)20(22)27;1-14-9-10-23-20(11-14)26-19-8-4-7-17(25-19)18-13-24-21(27-18)16-6-3-2-5-15(16)12-22/h2-12H,1H3,(H2,22,27)(H,23,25,26);2-11,13H,1H3,(H,23,25,26)
InChIKeyWZNZHQXNYQMZFN-UHFFFAOYSA-N
XLogP9.61
TPSA168.28 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds9
Heavy Atoms55
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500756.92
LogP ≤ 59.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Analyze 4-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]benzamide;2-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]benzonitrile with MolForge

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Launch Full Analysis

Related Compounds

4-[[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]thiophen-2-yl]methoxy]benzamide
CID 143286815
N-benzyl-5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-amine
CID 58707124
4-[methyl-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]amino]cyclohexane-1-carboxamide
CID 58707212
4-methyl-1-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 58706817
ethyl 3-methyl-3-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]butanoate
CID 58706765
N-[(1S)-1-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]-2-phenylmethoxyethyl]acetamide
CID 58707069
2-(4-hydroxyphenyl)-N-[(1S)-1-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]ethyl]acetamide
CID 58706708
5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-N,N-bis(prop-2-enyl)-1,3-thiazol-2-amine
CID 58707057
N-(4-methyl-2-pyridinyl)-6-[2-(thiophen-2-ylmethyl)-1,3-thiazol-5-yl]pyridin-2-amine
CID 58706589
(4-hydroxyphenyl)-[4-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]piperidin-1-yl]methanone
CID 58706618
1-[[[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]methylamino]methyl]cyclohexan-1-ol
CID 58706701
1-[4-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]piperazin-1-yl]propan-1-one
CID 58706740

Frequently Asked Questions

What is the IUPAC name of 4-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]benzamide;2-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]benzonitrile?
The IUPAC name of 4-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]benzamide;2-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]benzonitrile (CID 67324103) is 4-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]benzamide;2-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]benzonitrile.
What is the SMILES notation for 4-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]benzamide;2-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]benzonitrile?
The canonical SMILES for 4-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]benzamide;2-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]benzonitrile is Cc1ccnc(Nc2cccc(-c3cnc(-c4ccc(C(N)=O)cc4)s3)n2)c1.Cc1ccnc(Nc2cccc(-c3cnc(-c4ccccc4C#N)s3)n2)c1.
What is the InChIKey of 4-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]benzamide;2-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]benzonitrile?
The InChIKey is WZNZHQXNYQMZFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5OS.C21H15N5S/c1-13-9-10-23-19(11-13)26-18-4-2-3-16(25-18)17-12-24-21(28-17)15-7-5-14(6-8-15)20(22)27;1-14-9-10-23-20(11-14)26-19-8-4-7-17(25-19)18-13-24-21(27-18)16-6-3-2-5-15(16)12-22/h2-12H,1H3,(H2,22,27)(H,23,25,26);2-11,13H,1H3,(H,23,25,26).
What are the key properties of 4-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]benzamide;2-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]benzonitrile?
4-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]benzamide;2-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]benzonitrile has a molecular weight of 756.92 g/mol, XLogP of 9.61, 9 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]benzamide;2-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]benzonitrile is sourced from PubChem (CID 67324103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).