[4-[[5-[(4-cyano-2-pyridinyl)amino]-3-methyl-1,2-thiazole-4-carbonyl]amino]phenyl]carbamic acid

C18H14N6O3S — CID 118278844

IUPAC[4-[[5-[(4-cyano-2-pyridinyl)amino]-3-methyl-1,2-thiazole-4-carbonyl]amino]phenyl]carbamic acid
SMILESCc1nsc(Nc2cc(C#N)ccn2)c1C(=O)Nc1ccc(NC(=O)O)cc1
InChIInChI=1S/C18H14N6O3S/c1-10-15(16(25)21-12-2-4-13(5-3-12)22-18(26)27)17(28-24-10)23-14-8-11(9-19)6-7-20-14/h2-8,22H,1H3,(H,20,23)(H,21,25)(H,26,27)
InChIKeyBMJZSMQKCYUKJE-UHFFFAOYSA-N
MW394.42 g/mol
LogP3.80
Rot. Bonds5

About [4-[[5-[(4-cyano-2-pyridinyl)amino]-3-methyl-1,2-thiazole-4-carbonyl]amino]phenyl]carbamic acid

[4-[[5-[(4-cyano-2-pyridinyl)amino]-3-methyl-1,2-thiazole-4-carbonyl]amino]phenyl]carbamic acid (PubChem CID 118278844) has the molecular formula C18H14N6O3S and a molecular weight of 394.42 g/mol. Its IUPAC name is [4-[[5-[(4-cyano-2-pyridinyl)amino]-3-methyl-1,2-thiazole-4-carbonyl]amino]phenyl]carbamic acid.

Molecular Properties

Compound Name[4-[[5-[(4-cyano-2-pyridinyl)amino]-3-methyl-1,2-thiazole-4-carbonyl]amino]phenyl]carbamic acid
PubChem CID118278844
Molecular FormulaC18H14N6O3S
Molecular Weight394.42 g/mol
Exact Mass394.08
IUPAC Name[4-[[5-[(4-cyano-2-pyridinyl)amino]-3-methyl-1,2-thiazole-4-carbonyl]amino]phenyl]carbamic acid
SMILESCc1nsc(Nc2cc(C#N)ccn2)c1C(=O)Nc1ccc(NC(=O)O)cc1
InChIInChI=1S/C18H14N6O3S/c1-10-15(16(25)21-12-2-4-13(5-3-12)22-18(26)27)17(28-24-10)23-14-8-11(9-19)6-7-20-14/h2-8,22H,1H3,(H,20,23)(H,21,25)(H,26,27)
InChIKeyBMJZSMQKCYUKJE-UHFFFAOYSA-N
XLogP3.80
TPSA140.03 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.42
LogP ≤ 53.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze [4-[[5-[(4-cyano-2-pyridinyl)amino]-3-methyl-1,2-thiazole-4-carbonyl]amino]phenyl]carbamic acid with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl 3-[[5-[(4-cyano-2-pyridinyl)amino]-3-methyl-1,2-thiazole-4-carbonyl]amino]benzoate
CID 118278927
5-[(4-cyano-2-pyridinyl)amino]-N-[3-[2-(diethylamino)ethylcarbamoyl]phenyl]-3-methyl-1,2-thiazole-4-carboxamide
CID 118279085
3-[[5-[[5-[(5-cyano-2-pyridinyl)amino]-3-methyl-1,2-thiazole-4-carbonyl]amino]-2-pyridinyl]oxy]propylcarbamic acid
CID 118278750
4-[[3-methyl-5-(quinoxalin-2-ylamino)-1,2-thiazole-4-carbonyl]amino]benzoic acid
CID 118279033
tert-butyl 4-[[3-methyl-5-(pyrazin-2-ylamino)-1,2-thiazole-4-carbonyl]amino]benzoate
CID 118278759
5-(2-chloro-4-cyanoanilino)-3-methyl-1,2-thiazole-4-carboxylic acid
CID 107810494
5-[(5-cyano-2-pyridinyl)amino]-3-methyl-N-(6-piperidin-3-yloxy-3-pyridinyl)-1,2-thiazole-4-carboxamide
CID 118278742
5-[(4-cyano-2-pyridinyl)methyl]-3-methyl-N-[3-(3-methylbutanoyl)phenyl]-1,2-thiazole-4-carboxamide
CID 160734884
5-[(5-cyano-2-pyridinyl)amino]-N-[6-[1-(2-fluoroethyl)piperidin-4-yl]oxy-3-pyridinyl]-3-methyl-1,2-thiazole-4-carboxamide
CID 118278853
3-methyl-5-(methylamino)-N-(4-propan-2-ylphenyl)-1,2-thiazole-4-carboxamide
CID 25391715
N-(4-carbamoyl-3-fluorophenyl)-3-methyl-5-(quinoxalin-2-ylamino)-1,2-thiazole-4-carboxamide
CID 118284895
N-[4-[(4-acetyl-3-methyl-1,2-thiazol-5-yl)amino]phenyl]acetamide
CID 79375479

Frequently Asked Questions

What is the IUPAC name of [4-[[5-[(4-cyano-2-pyridinyl)amino]-3-methyl-1,2-thiazole-4-carbonyl]amino]phenyl]carbamic acid?
The IUPAC name of [4-[[5-[(4-cyano-2-pyridinyl)amino]-3-methyl-1,2-thiazole-4-carbonyl]amino]phenyl]carbamic acid (CID 118278844) is [4-[[5-[(4-cyano-2-pyridinyl)amino]-3-methyl-1,2-thiazole-4-carbonyl]amino]phenyl]carbamic acid.
What is the SMILES notation for [4-[[5-[(4-cyano-2-pyridinyl)amino]-3-methyl-1,2-thiazole-4-carbonyl]amino]phenyl]carbamic acid?
The canonical SMILES for [4-[[5-[(4-cyano-2-pyridinyl)amino]-3-methyl-1,2-thiazole-4-carbonyl]amino]phenyl]carbamic acid is Cc1nsc(Nc2cc(C#N)ccn2)c1C(=O)Nc1ccc(NC(=O)O)cc1.
What is the InChIKey of [4-[[5-[(4-cyano-2-pyridinyl)amino]-3-methyl-1,2-thiazole-4-carbonyl]amino]phenyl]carbamic acid?
The InChIKey is BMJZSMQKCYUKJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N6O3S/c1-10-15(16(25)21-12-2-4-13(5-3-12)22-18(26)27)17(28-24-10)23-14-8-11(9-19)6-7-20-14/h2-8,22H,1H3,(H,20,23)(H,21,25)(H,26,27).
What are the key properties of [4-[[5-[(4-cyano-2-pyridinyl)amino]-3-methyl-1,2-thiazole-4-carbonyl]amino]phenyl]carbamic acid?
[4-[[5-[(4-cyano-2-pyridinyl)amino]-3-methyl-1,2-thiazole-4-carbonyl]amino]phenyl]carbamic acid has a molecular weight of 394.42 g/mol, XLogP of 3.80, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[5-[(4-cyano-2-pyridinyl)amino]-3-methyl-1,2-thiazole-4-carbonyl]amino]phenyl]carbamic acid is sourced from PubChem (CID 118278844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).