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

C13H14ClN3OS — CID 66375562

IUPAC2-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]-1,3-thiazole-4-carboxamide
SMILESCC(NC(=O)c1csc(CN)n1)c1ccccc1Cl
InChIInChI=1S/C13H14ClN3OS/c1-8(9-4-2-3-5-10(9)14)16-13(18)11-7-19-12(6-15)17-11/h2-5,7-8H,6,15H2,1H3,(H,16,18)
InChIKeyTXQHVTWXPNVPSP-UHFFFAOYSA-N
MW295.80 g/mol
LogP2.75
Rot. Bonds4

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

2-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]-1,3-thiazole-4-carboxamide (PubChem CID 66375562) has the molecular formula C13H14ClN3OS and a molecular weight of 295.80 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]-1,3-thiazole-4-carboxamide
PubChem CID66375562
Molecular FormulaC13H14ClN3OS
Molecular Weight295.80 g/mol
Exact Mass295.05
IUPAC Name2-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]-1,3-thiazole-4-carboxamide
SMILESCC(NC(=O)c1csc(CN)n1)c1ccccc1Cl
InChIInChI=1S/C13H14ClN3OS/c1-8(9-4-2-3-5-10(9)14)16-13(18)11-7-19-12(6-15)17-11/h2-5,7-8H,6,15H2,1H3,(H,16,18)
InChIKeyTXQHVTWXPNVPSP-UHFFFAOYSA-N
XLogP2.75
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.80
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]-1,3-thiazole-4-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

2-(aminomethyl)-N-[(1R)-1-(2-methylphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 81375210
(2R)-2-[[2-(aminomethyl)-1,3-thiazole-4-carbonyl]amino]-2-(2-chlorophenyl)acetic acid
CID 107315280
2-(aminomethyl)-N-[1-(3,4-dichlorophenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 66377096
2-(aminomethyl)-N-(3-phenylbutan-2-yl)-1,3-thiazole-4-carboxamide
CID 119790485
2-(2-aminoethyl)-N-[(1R)-1-(2-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 81390605
2-(aminomethyl)-N-[(1R)-1-(4-bromophenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 81359342
2-(aminomethyl)-N-[2,6-di(propan-2-yl)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119671516
2-(aminomethyl)-N-[1-(5-methylthiophen-2-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 66377301
2-(aminomethyl)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 81363190
2-amino-N-[(1S)-1-(2-chlorophenyl)ethyl]acetamide
CID 81378449
N-[(1S)-1-(2-chlorophenyl)ethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 31305146
2-(aminomethyl)-N-(4-methylpentan-2-yl)-1,3-thiazole-4-carboxamide
CID 66377228

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]-1,3-thiazole-4-carboxamide (CID 66375562) is 2-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]-1,3-thiazole-4-carboxamide is CC(NC(=O)c1csc(CN)n1)c1ccccc1Cl.
What is the InChIKey of 2-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]-1,3-thiazole-4-carboxamide?
The InChIKey is TXQHVTWXPNVPSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3OS/c1-8(9-4-2-3-5-10(9)14)16-13(18)11-7-19-12(6-15)17-11/h2-5,7-8H,6,15H2,1H3,(H,16,18).
What are the key properties of 2-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]-1,3-thiazole-4-carboxamide?
2-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]-1,3-thiazole-4-carboxamide has a molecular weight of 295.80 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 66375562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).