N-[2-(3-chlorophenyl)ethyl]-2-methyl-1,3-thiazole-4-carboxamide

C13H13ClN2OS — CID 47443636

IUPACN-[2-(3-chlorophenyl)ethyl]-2-methyl-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)NCCc2cccc(Cl)c2)cs1
InChIInChI=1S/C13H13ClN2OS/c1-9-16-12(8-18-9)13(17)15-6-5-10-3-2-4-11(14)7-10/h2-4,7-8H,5-6H2,1H3,(H,15,17)
InChIKeyDXYSAHQEYRPORY-UHFFFAOYSA-N
MW280.78 g/mol
LogP3.08
Rot. Bonds4

About N-[2-(3-chlorophenyl)ethyl]-2-methyl-1,3-thiazole-4-carboxamide

N-[2-(3-chlorophenyl)ethyl]-2-methyl-1,3-thiazole-4-carboxamide (PubChem CID 47443636) has the molecular formula C13H13ClN2OS and a molecular weight of 280.78 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)ethyl]-2-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)ethyl]-2-methyl-1,3-thiazole-4-carboxamide
PubChem CID47443636
Molecular FormulaC13H13ClN2OS
Molecular Weight280.78 g/mol
Exact Mass280.04
IUPAC NameN-[2-(3-chlorophenyl)ethyl]-2-methyl-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)NCCc2cccc(Cl)c2)cs1
InChIInChI=1S/C13H13ClN2OS/c1-9-16-12(8-18-9)13(17)15-6-5-10-3-2-4-11(14)7-10/h2-4,7-8H,5-6H2,1H3,(H,15,17)
InChIKeyDXYSAHQEYRPORY-UHFFFAOYSA-N
XLogP3.08
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.78
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-aminobutyl)-N-[2-(3-chlorophenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 3832974
N-[2-(3-chlorophenyl)ethyl]-2-piperidin-4-yl-1,3-thiazole-4-carboxamide
CID 3842964
N-[2-(3-chlorophenyl)ethyl]-2-pyrrolidin-2-yl-1,3-thiazole-4-carboxamide
CID 3803357
2-[[(5-chloro-1-methylpyrazole-4-carbonyl)amino]methyl]-N-[2-(3-chlorophenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 91408257
N-[2-(3-chlorophenyl)ethyl]imidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide
CID 110856224
N-[2-(3-chlorophenyl)ethyl]-2-methyl-6-(2-methylpropylamino)pyrimidine-4-carboxamide
CID 109362010
2-methyl-N-[2-[3-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]ethyl]-1,3-thiazole-4-carboxamide
CID 25052237
N-[2-(3-chlorophenyl)ethyl]-6-(diethylamino)-2-methylpyrimidine-4-carboxamide
CID 109373286
4-amino-N-[2-(3-chlorophenyl)ethyl]-5-methylthiophene-2-carboxamide
CID 61113254
N-[2-(3-chlorophenyl)ethyl]-5-methyl-1-propan-2-ylpyrazole-3-carboxamide
CID 110681602
N-[2-(3-chlorophenyl)ethyl]-2-[[[2-(4-iodophenoxy)acetyl]amino]methyl]-1,3-thiazole-4-carboxamide
CID 11563067
N-[2-(3-chlorophenyl)ethyl]-6-methyl-1-benzofuran-2-carboxamide
CID 112529537

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)ethyl]-2-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[2-(3-chlorophenyl)ethyl]-2-methyl-1,3-thiazole-4-carboxamide (CID 47443636) is N-[2-(3-chlorophenyl)ethyl]-2-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)ethyl]-2-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[2-(3-chlorophenyl)ethyl]-2-methyl-1,3-thiazole-4-carboxamide is Cc1nc(C(=O)NCCc2cccc(Cl)c2)cs1.
What is the InChIKey of N-[2-(3-chlorophenyl)ethyl]-2-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is DXYSAHQEYRPORY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2OS/c1-9-16-12(8-18-9)13(17)15-6-5-10-3-2-4-11(14)7-10/h2-4,7-8H,5-6H2,1H3,(H,15,17).
What are the key properties of N-[2-(3-chlorophenyl)ethyl]-2-methyl-1,3-thiazole-4-carboxamide?
N-[2-(3-chlorophenyl)ethyl]-2-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 280.78 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)ethyl]-2-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 47443636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).