2-(2-chlorophenyl)-N-(2-imidazol-1-ylethyl)-4-methyl-1,3-thiazole-5-carboxamide

C16H15ClN4OS — CID 49319130

IUPAC2-(2-chlorophenyl)-N-(2-imidazol-1-ylethyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccccc2Cl)sc1C(=O)NCCn1ccnc1
InChIInChI=1S/C16H15ClN4OS/c1-11-14(15(22)19-7-9-21-8-6-18-10-21)23-16(20-11)12-4-2-3-5-13(12)17/h2-6,8,10H,7,9H2,1H3,(H,19,22)
InChIKeyZNKJGQUWONRULY-UHFFFAOYSA-N
MW346.84 g/mol
LogP3.40
Rot. Bonds5

About 2-(2-chlorophenyl)-N-(2-imidazol-1-ylethyl)-4-methyl-1,3-thiazole-5-carboxamide

2-(2-chlorophenyl)-N-(2-imidazol-1-ylethyl)-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 49319130) has the molecular formula C16H15ClN4OS and a molecular weight of 346.84 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-(2-imidazol-1-ylethyl)-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-(2-imidazol-1-ylethyl)-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID49319130
Molecular FormulaC16H15ClN4OS
Molecular Weight346.84 g/mol
Exact Mass346.07
IUPAC Name2-(2-chlorophenyl)-N-(2-imidazol-1-ylethyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccccc2Cl)sc1C(=O)NCCn1ccnc1
InChIInChI=1S/C16H15ClN4OS/c1-11-14(15(22)19-7-9-21-8-6-18-10-21)23-16(20-11)12-4-2-3-5-13(12)17/h2-6,8,10H,7,9H2,1H3,(H,19,22)
InChIKeyZNKJGQUWONRULY-UHFFFAOYSA-N
XLogP3.40
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.84
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-ethylphenyl)-N-(3-imidazol-1-ylpropyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 166188297
2-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 42536427
2-(2-chlorophenyl)-N-[(4-chlorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 39084095
2-(2,3-dichlorophenyl)-4-methyl-N-(2-piperidin-1-ylethyl)-1,3-thiazole-5-carboxamide
CID 59337953
2-(2-chlorophenyl)-4-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-1,3-thiazole-5-carboxamide
CID 42571000
5-chloro-N-(2-imidazol-1-ylethyl)thiophene-2-carboxamide
CID 47143117
N-(2-imidazol-1-ylethyl)-2-(methylamino)benzamide
CID 61375960
2-(2,4-dichlorophenyl)-N-[2-(diethylamino)ethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 59337760
4-methyl-N-[2-(6-oxopyridazin-1-yl)ethyl]-2-phenyl-1,3-thiazole-5-carboxamide
CID 42226635
5-(2-chlorophenyl)-N-(4-imidazol-1-ylbutyl)-1H-pyrazole-4-carboxamide
CID 75378536
5-(2-acetamido-5-methyl-4-pyridinyl)-2-(2-chlorophenyl)-N-(2-imidazol-1-ylethyl)furan-3-carboxamide
CID 66749495
[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-piperidin-1-ylmethanone
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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-(2-imidazol-1-ylethyl)-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(2-chlorophenyl)-N-(2-imidazol-1-ylethyl)-4-methyl-1,3-thiazole-5-carboxamide (CID 49319130) is 2-(2-chlorophenyl)-N-(2-imidazol-1-ylethyl)-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-(2-imidazol-1-ylethyl)-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-(2-imidazol-1-ylethyl)-4-methyl-1,3-thiazole-5-carboxamide is Cc1nc(-c2ccccc2Cl)sc1C(=O)NCCn1ccnc1.
What is the InChIKey of 2-(2-chlorophenyl)-N-(2-imidazol-1-ylethyl)-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is ZNKJGQUWONRULY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4OS/c1-11-14(15(22)19-7-9-21-8-6-18-10-21)23-16(20-11)12-4-2-3-5-13(12)17/h2-6,8,10H,7,9H2,1H3,(H,19,22).
What are the key properties of 2-(2-chlorophenyl)-N-(2-imidazol-1-ylethyl)-4-methyl-1,3-thiazole-5-carboxamide?
2-(2-chlorophenyl)-N-(2-imidazol-1-ylethyl)-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 346.84 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-(2-imidazol-1-ylethyl)-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 49319130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).