2-(4-chlorophenyl)-N-(furan-2-ylmethyl)-N-methyl-1,3-thiazole-4-carboxamide

C16H13ClN2O2S — CID 17499300

IUPAC2-(4-chlorophenyl)-N-(furan-2-ylmethyl)-N-methyl-1,3-thiazole-4-carboxamide
SMILESCN(Cc1ccco1)C(=O)c1csc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C16H13ClN2O2S/c1-19(9-13-3-2-8-21-13)16(20)14-10-22-15(18-14)11-4-6-12(17)7-5-11/h2-8,10H,9H2,1H3
InChIKeyUZOGJYOSYAAEQQ-UHFFFAOYSA-N
MW332.81 g/mol
LogP4.33
Rot. Bonds4

About 2-(4-chlorophenyl)-N-(furan-2-ylmethyl)-N-methyl-1,3-thiazole-4-carboxamide

2-(4-chlorophenyl)-N-(furan-2-ylmethyl)-N-methyl-1,3-thiazole-4-carboxamide (PubChem CID 17499300) has the molecular formula C16H13ClN2O2S and a molecular weight of 332.81 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-(furan-2-ylmethyl)-N-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-(furan-2-ylmethyl)-N-methyl-1,3-thiazole-4-carboxamide
PubChem CID17499300
Molecular FormulaC16H13ClN2O2S
Molecular Weight332.81 g/mol
Exact Mass332.04
IUPAC Name2-(4-chlorophenyl)-N-(furan-2-ylmethyl)-N-methyl-1,3-thiazole-4-carboxamide
SMILESCN(Cc1ccco1)C(=O)c1csc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C16H13ClN2O2S/c1-19(9-13-3-2-8-21-13)16(20)14-10-22-15(18-14)11-4-6-12(17)7-5-11/h2-8,10H,9H2,1H3
InChIKeyUZOGJYOSYAAEQQ-UHFFFAOYSA-N
XLogP4.33
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.81
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenyl)-N-methyl-N-[(4-methylphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 18114414
2-amino-N-(furan-2-ylmethyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 62787665
N-(furan-2-ylmethyl)-2-(4-methylphenyl)-N-phenyl-1,3-thiazole-4-carboxamide
CID 18273783
N-[(3-chlorophenyl)methyl]-N-methyl-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 17496872
N-methyl-2-(4-methylphenyl)-N-(thiophen-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 18114181
2-(4-chlorophenyl)-N-(2-hydroxy-3-methoxypropyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 111695137
N-[(4-bromophenyl)methyl]-2-(furan-2-yl)-N-methyl-1,3-thiazole-4-carboxamide
CID 36702476
2-(2,4-dimethylanilino)-N-(furan-2-ylmethyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 46388424
2-[4-[(4-chlorophenyl)methoxy]phenyl]-N-ethyl-N-methyl-1,3-thiazole-4-carboxamide
CID 46065907
2-(4-chlorophenyl)-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-1,3-thiazole-4-carboxamide
CID 51267675
N-benzyl-2-[4-[(2-chlorophenyl)methoxy]phenyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 42865825
N-(1-aminopropan-2-yl)-2-(4-chlorophenyl)-N-methyl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119584366

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-(furan-2-ylmethyl)-N-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(4-chlorophenyl)-N-(furan-2-ylmethyl)-N-methyl-1,3-thiazole-4-carboxamide (CID 17499300) is 2-(4-chlorophenyl)-N-(furan-2-ylmethyl)-N-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-(furan-2-ylmethyl)-N-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-(furan-2-ylmethyl)-N-methyl-1,3-thiazole-4-carboxamide is CN(Cc1ccco1)C(=O)c1csc(-c2ccc(Cl)cc2)n1.
What is the InChIKey of 2-(4-chlorophenyl)-N-(furan-2-ylmethyl)-N-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is UZOGJYOSYAAEQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O2S/c1-19(9-13-3-2-8-21-13)16(20)14-10-22-15(18-14)11-4-6-12(17)7-5-11/h2-8,10H,9H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-N-(furan-2-ylmethyl)-N-methyl-1,3-thiazole-4-carboxamide?
2-(4-chlorophenyl)-N-(furan-2-ylmethyl)-N-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 332.81 g/mol, XLogP of 4.33, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-(furan-2-ylmethyl)-N-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 17499300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).