2-[4-[(4-chloro-5-ethyl-1H-imidazole-2-carbonyl)amino]phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid

C17H15ClN4O3S — CID 59615437

IUPAC2-[4-[(4-chloro-5-ethyl-1H-imidazole-2-carbonyl)amino]phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid
SMILESCCc1[nH]c(C(=O)Nc2ccc(-c3nc(C)c(C(=O)O)s3)cc2)nc1Cl
InChIInChI=1S/C17H15ClN4O3S/c1-3-11-13(18)22-14(21-11)15(23)20-10-6-4-9(5-7-10)16-19-8(2)12(26-16)17(24)25/h4-7H,3H2,1-2H3,(H,20,23)(H,21,22)(H,24,25)
InChIKeyQAVFMUCZNSXLOK-UHFFFAOYSA-N
MW390.85 g/mol
LogP4.01
Rot. Bonds5

About 2-[4-[(4-chloro-5-ethyl-1H-imidazole-2-carbonyl)amino]phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid

2-[4-[(4-chloro-5-ethyl-1H-imidazole-2-carbonyl)amino]phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid (PubChem CID 59615437) has the molecular formula C17H15ClN4O3S and a molecular weight of 390.85 g/mol. Its IUPAC name is 2-[4-[(4-chloro-5-ethyl-1H-imidazole-2-carbonyl)amino]phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[4-[(4-chloro-5-ethyl-1H-imidazole-2-carbonyl)amino]phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid
PubChem CID59615437
Molecular FormulaC17H15ClN4O3S
Molecular Weight390.85 g/mol
Exact Mass390.06
IUPAC Name2-[4-[(4-chloro-5-ethyl-1H-imidazole-2-carbonyl)amino]phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid
SMILESCCc1[nH]c(C(=O)Nc2ccc(-c3nc(C)c(C(=O)O)s3)cc2)nc1Cl
InChIInChI=1S/C17H15ClN4O3S/c1-3-11-13(18)22-14(21-11)15(23)20-10-6-4-9(5-7-10)16-19-8(2)12(26-16)17(24)25/h4-7H,3H2,1-2H3,(H,20,23)(H,21,22)(H,24,25)
InChIKeyQAVFMUCZNSXLOK-UHFFFAOYSA-N
XLogP4.01
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.85
LogP ≤ 54.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-chloro-5-ethyl-1H-imidazole-2-carbonyl)amino]phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-[4-[(4-chloro-5-ethyl-1H-imidazole-2-carbonyl)amino]phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid (CID 59615437) is 2-[4-[(4-chloro-5-ethyl-1H-imidazole-2-carbonyl)amino]phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-[4-[(4-chloro-5-ethyl-1H-imidazole-2-carbonyl)amino]phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-[4-[(4-chloro-5-ethyl-1H-imidazole-2-carbonyl)amino]phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid is CCc1[nH]c(C(=O)Nc2ccc(-c3nc(C)c(C(=O)O)s3)cc2)nc1Cl.
What is the InChIKey of 2-[4-[(4-chloro-5-ethyl-1H-imidazole-2-carbonyl)amino]phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid?
The InChIKey is QAVFMUCZNSXLOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O3S/c1-3-11-13(18)22-14(21-11)15(23)20-10-6-4-9(5-7-10)16-19-8(2)12(26-16)17(24)25/h4-7H,3H2,1-2H3,(H,20,23)(H,21,22)(H,24,25).
What are the key properties of 2-[4-[(4-chloro-5-ethyl-1H-imidazole-2-carbonyl)amino]phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid?
2-[4-[(4-chloro-5-ethyl-1H-imidazole-2-carbonyl)amino]phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid has a molecular weight of 390.85 g/mol, XLogP of 4.01, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-chloro-5-ethyl-1H-imidazole-2-carbonyl)amino]phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 59615437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).