5-[(4-cyano-2-pyridinyl)amino]-N-[3-[2-(diethylamino)ethylcarbamoyl]phenyl]-3-methyl-1,2-thiazole-4-carboxamide

C24H27N7O2S — CID 118279085

IUPAC5-[(4-cyano-2-pyridinyl)amino]-N-[3-[2-(diethylamino)ethylcarbamoyl]phenyl]-3-methyl-1,2-thiazole-4-carboxamide
SMILESCCN(CC)CCNC(=O)c1cccc(NC(=O)c2c(C)nsc2Nc2cc(C#N)ccn2)c1
InChIInChI=1S/C24H27N7O2S/c1-4-31(5-2)12-11-27-22(32)18-7-6-8-19(14-18)28-23(33)21-16(3)30-34-24(21)29-20-13-17(15-25)9-10-26-20/h6-10,13-14H,4-5,11-12H2,1-3H3,(H,26,29)(H,27,32)(H,28,33)
InChIKeyCTVBSNWGXSHBLB-UHFFFAOYSA-N
MW477.59 g/mol
LogP3.79
Rot. Bonds10

About 5-[(4-cyano-2-pyridinyl)amino]-N-[3-[2-(diethylamino)ethylcarbamoyl]phenyl]-3-methyl-1,2-thiazole-4-carboxamide

5-[(4-cyano-2-pyridinyl)amino]-N-[3-[2-(diethylamino)ethylcarbamoyl]phenyl]-3-methyl-1,2-thiazole-4-carboxamide (PubChem CID 118279085) has the molecular formula C24H27N7O2S and a molecular weight of 477.59 g/mol. Its IUPAC name is 5-[(4-cyano-2-pyridinyl)amino]-N-[3-[2-(diethylamino)ethylcarbamoyl]phenyl]-3-methyl-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name5-[(4-cyano-2-pyridinyl)amino]-N-[3-[2-(diethylamino)ethylcarbamoyl]phenyl]-3-methyl-1,2-thiazole-4-carboxamide
PubChem CID118279085
Molecular FormulaC24H27N7O2S
Molecular Weight477.59 g/mol
Exact Mass477.19
IUPAC Name5-[(4-cyano-2-pyridinyl)amino]-N-[3-[2-(diethylamino)ethylcarbamoyl]phenyl]-3-methyl-1,2-thiazole-4-carboxamide
SMILESCCN(CC)CCNC(=O)c1cccc(NC(=O)c2c(C)nsc2Nc2cc(C#N)ccn2)c1
InChIInChI=1S/C24H27N7O2S/c1-4-31(5-2)12-11-27-22(32)18-7-6-8-19(14-18)28-23(33)21-16(3)30-34-24(21)29-20-13-17(15-25)9-10-26-20/h6-10,13-14H,4-5,11-12H2,1-3H3,(H,26,29)(H,27,32)(H,28,33)
InChIKeyCTVBSNWGXSHBLB-UHFFFAOYSA-N
XLogP3.79
TPSA123.04 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.59
LogP ≤ 53.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 5-[(4-cyano-2-pyridinyl)amino]-N-[3-[2-(diethylamino)ethylcarbamoyl]phenyl]-3-methyl-1,2-thiazole-4-carboxamide with MolForge

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Related Compounds

tert-butyl 3-[[5-[(4-cyano-2-pyridinyl)amino]-3-methyl-1,2-thiazole-4-carbonyl]amino]benzoate
CID 118278927
[4-[[5-[(4-cyano-2-pyridinyl)amino]-3-methyl-1,2-thiazole-4-carbonyl]amino]phenyl]carbamic acid
CID 118278844
5-[(4-cyano-2-pyridinyl)methyl]-3-methyl-N-[3-(3-methylbutanoyl)phenyl]-1,2-thiazole-4-carboxamide
CID 160734884
3-[[4-(aminomethyl)benzoyl]amino]-N-[2-(diethylamino)ethyl]benzamide;dihydrochloride
CID 119847686
3-[(2-amino-2-methylpropanoyl)amino]-N-[2-(diethylamino)ethyl]benzamide
CID 119847657
N-[2-(diethylamino)ethyl]-3-[[6-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide
CID 50783608
2-amino-N-[2-(diethylamino)ethyl]pyridine-4-carboxamide
CID 62156406
2-N-(3-cyanophenyl)-4-N-propylpyridine-2,4-dicarboxamide
CID 109077804
3-bromo-N-[2-(diethylamino)ethyl]benzamide;hydrochloride
CID 2941785
N-(3-acetylphenyl)-2-(4-cyanoanilino)pyridine-4-carboxamide
CID 109178483
3-[[2-(4-chlorophenoxy)acetyl]amino]-N-[2-(diethylamino)ethyl]benzamide
CID 13140655
2-(3-acetamidoanilino)-N-(3-cyanophenyl)pyridine-4-carboxamide
CID 109178564

Frequently Asked Questions

What is the IUPAC name of 5-[(4-cyano-2-pyridinyl)amino]-N-[3-[2-(diethylamino)ethylcarbamoyl]phenyl]-3-methyl-1,2-thiazole-4-carboxamide?
The IUPAC name of 5-[(4-cyano-2-pyridinyl)amino]-N-[3-[2-(diethylamino)ethylcarbamoyl]phenyl]-3-methyl-1,2-thiazole-4-carboxamide (CID 118279085) is 5-[(4-cyano-2-pyridinyl)amino]-N-[3-[2-(diethylamino)ethylcarbamoyl]phenyl]-3-methyl-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 5-[(4-cyano-2-pyridinyl)amino]-N-[3-[2-(diethylamino)ethylcarbamoyl]phenyl]-3-methyl-1,2-thiazole-4-carboxamide?
The canonical SMILES for 5-[(4-cyano-2-pyridinyl)amino]-N-[3-[2-(diethylamino)ethylcarbamoyl]phenyl]-3-methyl-1,2-thiazole-4-carboxamide is CCN(CC)CCNC(=O)c1cccc(NC(=O)c2c(C)nsc2Nc2cc(C#N)ccn2)c1.
What is the InChIKey of 5-[(4-cyano-2-pyridinyl)amino]-N-[3-[2-(diethylamino)ethylcarbamoyl]phenyl]-3-methyl-1,2-thiazole-4-carboxamide?
The InChIKey is CTVBSNWGXSHBLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N7O2S/c1-4-31(5-2)12-11-27-22(32)18-7-6-8-19(14-18)28-23(33)21-16(3)30-34-24(21)29-20-13-17(15-25)9-10-26-20/h6-10,13-14H,4-5,11-12H2,1-3H3,(H,26,29)(H,27,32)(H,28,33).
What are the key properties of 5-[(4-cyano-2-pyridinyl)amino]-N-[3-[2-(diethylamino)ethylcarbamoyl]phenyl]-3-methyl-1,2-thiazole-4-carboxamide?
5-[(4-cyano-2-pyridinyl)amino]-N-[3-[2-(diethylamino)ethylcarbamoyl]phenyl]-3-methyl-1,2-thiazole-4-carboxamide has a molecular weight of 477.59 g/mol, XLogP of 3.79, 10 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-cyano-2-pyridinyl)amino]-N-[3-[2-(diethylamino)ethylcarbamoyl]phenyl]-3-methyl-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 118279085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).