N-[(4-chlorophenyl)methyl]-2-ethyl-1,3-thiazole-5-carboxamide

C13H13ClN2OS — CID 48571043

IUPACN-[(4-chlorophenyl)methyl]-2-ethyl-1,3-thiazole-5-carboxamide
SMILESCCc1ncc(C(=O)NCc2ccc(Cl)cc2)s1
InChIInChI=1S/C13H13ClN2OS/c1-2-12-15-8-11(18-12)13(17)16-7-9-3-5-10(14)6-4-9/h3-6,8H,2,7H2,1H3,(H,16,17)
InChIKeyVPCFSWGODZMRKE-UHFFFAOYSA-N
MW280.78 g/mol
LogP3.29
Rot. Bonds4

About N-[(4-chlorophenyl)methyl]-2-ethyl-1,3-thiazole-5-carboxamide

N-[(4-chlorophenyl)methyl]-2-ethyl-1,3-thiazole-5-carboxamide (PubChem CID 48571043) has the molecular formula C13H13ClN2OS and a molecular weight of 280.78 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-ethyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-ethyl-1,3-thiazole-5-carboxamide
PubChem CID48571043
Molecular FormulaC13H13ClN2OS
Molecular Weight280.78 g/mol
Exact Mass280.04
IUPAC NameN-[(4-chlorophenyl)methyl]-2-ethyl-1,3-thiazole-5-carboxamide
SMILESCCc1ncc(C(=O)NCc2ccc(Cl)cc2)s1
InChIInChI=1S/C13H13ClN2OS/c1-2-12-15-8-11(18-12)13(17)16-7-9-3-5-10(14)6-4-9/h3-6,8H,2,7H2,1H3,(H,16,17)
InChIKeyVPCFSWGODZMRKE-UHFFFAOYSA-N
XLogP3.29
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 ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(4-chlorophenyl)methyl]-2-ethyl-1,3-thiazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2-ethyl-1,3-thiazole-5-carboxamide
CID 86847555
2-ethyl-N-(2-hydroxypropyl)-1,3-thiazole-5-carboxamide
CID 110907781
N-[2-(4-chlorophenoxy)ethyl]-2-propyl-1,3-thiazole-5-carboxamide
CID 57210461
2-ethyl-N-(3-hydroxybutyl)-1,3-thiazole-5-carboxamide
CID 111433740
2-chloro-N-ethyl-1,3-thiazole-5-carboxamide
CID 170344916
2-ethyl-N-[2-(furan-3-carbonylamino)ethyl]-1,3-thiazole-5-carboxamide
CID 47426643
N-[(4-chlorophenyl)methyl]-2-[(4-chlorophenyl)methylamino]pyrimidine-5-carboxamide
CID 109257576
N-[(4-chlorophenyl)methyl]-2,4-dimethylpyrimidine-5-carboxamide
CID 53007174
2-ethyl-N-[2-(N-methylanilino)ethyl]-1,3-thiazole-5-carboxamide
CID 48574128
4-amino-N-[(4-chlorophenyl)methyl]-5-ethyl-1H-pyrazole-3-carboxamide
CID 62082153
2-bromo-N-[(5-chloro-2-fluorophenyl)methyl]-1,3-thiazole-5-carboxamide
CID 156735153
2-ethyl-N-(3-hydroxy-2,2,4-trimethylpentyl)-1,3-thiazole-5-carboxamide
CID 109381044

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-ethyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-ethyl-1,3-thiazole-5-carboxamide (CID 48571043) is N-[(4-chlorophenyl)methyl]-2-ethyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-ethyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-ethyl-1,3-thiazole-5-carboxamide is CCc1ncc(C(=O)NCc2ccc(Cl)cc2)s1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-ethyl-1,3-thiazole-5-carboxamide?
The InChIKey is VPCFSWGODZMRKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2OS/c1-2-12-15-8-11(18-12)13(17)16-7-9-3-5-10(14)6-4-9/h3-6,8H,2,7H2,1H3,(H,16,17).
What are the key properties of N-[(4-chlorophenyl)methyl]-2-ethyl-1,3-thiazole-5-carboxamide?
N-[(4-chlorophenyl)methyl]-2-ethyl-1,3-thiazole-5-carboxamide has a molecular weight of 280.78 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-ethyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 48571043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).