N-(2-anilino-2-oxoethyl)-2-(2-chloroanilino)-1,3-thiazole-4-carboxamide

C18H15ClN4O2S — CID 42813501

IUPACN-(2-anilino-2-oxoethyl)-2-(2-chloroanilino)-1,3-thiazole-4-carboxamide
SMILESO=C(CNC(=O)c1csc(Nc2ccccc2Cl)n1)Nc1ccccc1
InChIInChI=1S/C18H15ClN4O2S/c19-13-8-4-5-9-14(13)22-18-23-15(11-26-18)17(25)20-10-16(24)21-12-6-2-1-3-7-12/h1-9,11H,10H2,(H,20,25)(H,21,24)(H,22,23)
InChIKeyZPZXUKVDOPJOKJ-UHFFFAOYSA-N
MW386.86 g/mol
LogP3.91
Rot. Bonds6

About N-(2-anilino-2-oxoethyl)-2-(2-chloroanilino)-1,3-thiazole-4-carboxamide

N-(2-anilino-2-oxoethyl)-2-(2-chloroanilino)-1,3-thiazole-4-carboxamide (PubChem CID 42813501) has the molecular formula C18H15ClN4O2S and a molecular weight of 386.86 g/mol. Its IUPAC name is N-(2-anilino-2-oxoethyl)-2-(2-chloroanilino)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-anilino-2-oxoethyl)-2-(2-chloroanilino)-1,3-thiazole-4-carboxamide
PubChem CID42813501
Molecular FormulaC18H15ClN4O2S
Molecular Weight386.86 g/mol
Exact Mass386.06
IUPAC NameN-(2-anilino-2-oxoethyl)-2-(2-chloroanilino)-1,3-thiazole-4-carboxamide
SMILESO=C(CNC(=O)c1csc(Nc2ccccc2Cl)n1)Nc1ccccc1
InChIInChI=1S/C18H15ClN4O2S/c19-13-8-4-5-9-14(13)22-18-23-15(11-26-18)17(25)20-10-16(24)21-12-6-2-1-3-7-12/h1-9,11H,10H2,(H,20,25)(H,21,24)(H,22,23)
InChIKeyZPZXUKVDOPJOKJ-UHFFFAOYSA-N
XLogP3.91
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.86
LogP ≤ 53.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-chloroanilino)-N-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-1,3-thiazole-4-carboxamide
CID 42813506
N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-2-(2-chloroanilino)-1,3-thiazole-4-carboxamide
CID 83279349
2-[(2-anilino-1,3-thiazole-4-carbonyl)amino]acetic acid
CID 42813690
(3S)-3-[[2-(2-chloroanilino)-1,3-thiazole-4-carbonyl]amino]-3-(2-methylphenyl)propanoic acid
CID 89397172
2-[[2-(3-methylanilino)-1,3-thiazole-4-carbonyl]amino]acetic acid
CID 42795716
2-(2,5-dichloroanilino)-N-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-1,3-thiazole-4-carboxamide
CID 42813537
N-benzyl-2-(2-chloroanilino)-N-[2-(dimethylamino)ethyl]-1,3-thiazole-4-carboxamide
CID 5222692
N-(2-chlorophenyl)-2-(3,4-dimethoxyanilino)-1,3-thiazole-4-carboxamide
CID 16955416
2-(2-chloroanilino)-N-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 42813666
N-phenyl-2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxamide
CID 90509789
2-[(4-chlorobenzoyl)amino]-N-phenyl-1,3-thiazole-4-carboxamide
CID 16915094
2-(2-chloroanilino)-N-cyclopropyl-N-[3-oxo-3-(propan-2-ylamino)propyl]-1,3-thiazole-4-carboxamide
CID 42813493

Frequently Asked Questions

What is the IUPAC name of N-(2-anilino-2-oxoethyl)-2-(2-chloroanilino)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(2-anilino-2-oxoethyl)-2-(2-chloroanilino)-1,3-thiazole-4-carboxamide (CID 42813501) is N-(2-anilino-2-oxoethyl)-2-(2-chloroanilino)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(2-anilino-2-oxoethyl)-2-(2-chloroanilino)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(2-anilino-2-oxoethyl)-2-(2-chloroanilino)-1,3-thiazole-4-carboxamide is O=C(CNC(=O)c1csc(Nc2ccccc2Cl)n1)Nc1ccccc1.
What is the InChIKey of N-(2-anilino-2-oxoethyl)-2-(2-chloroanilino)-1,3-thiazole-4-carboxamide?
The InChIKey is ZPZXUKVDOPJOKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN4O2S/c19-13-8-4-5-9-14(13)22-18-23-15(11-26-18)17(25)20-10-16(24)21-12-6-2-1-3-7-12/h1-9,11H,10H2,(H,20,25)(H,21,24)(H,22,23).
What are the key properties of N-(2-anilino-2-oxoethyl)-2-(2-chloroanilino)-1,3-thiazole-4-carboxamide?
N-(2-anilino-2-oxoethyl)-2-(2-chloroanilino)-1,3-thiazole-4-carboxamide has a molecular weight of 386.86 g/mol, XLogP of 3.91, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-anilino-2-oxoethyl)-2-(2-chloroanilino)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 42813501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).