2-(1-aminoethyl)-N-(5-chloro-2-methylphenyl)-1,3-thiazole-4-carboxamide

C13H14ClN3OS — CID 66373820

IUPAC2-(1-aminoethyl)-N-(5-chloro-2-methylphenyl)-1,3-thiazole-4-carboxamide
SMILESCc1ccc(Cl)cc1NC(=O)c1csc(C(C)N)n1
InChIInChI=1S/C13H14ClN3OS/c1-7-3-4-9(14)5-10(7)16-12(18)11-6-19-13(17-11)8(2)15/h3-6,8H,15H2,1-2H3,(H,16,18)
InChIKeyULKAOSSSRVFLJO-UHFFFAOYSA-N
MW295.80 g/mol
LogP3.38
Rot. Bonds3

About 2-(1-aminoethyl)-N-(5-chloro-2-methylphenyl)-1,3-thiazole-4-carboxamide

2-(1-aminoethyl)-N-(5-chloro-2-methylphenyl)-1,3-thiazole-4-carboxamide (PubChem CID 66373820) has the molecular formula C13H14ClN3OS and a molecular weight of 295.80 g/mol. Its IUPAC name is 2-(1-aminoethyl)-N-(5-chloro-2-methylphenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(1-aminoethyl)-N-(5-chloro-2-methylphenyl)-1,3-thiazole-4-carboxamide
PubChem CID66373820
Molecular FormulaC13H14ClN3OS
Molecular Weight295.80 g/mol
Exact Mass295.05
IUPAC Name2-(1-aminoethyl)-N-(5-chloro-2-methylphenyl)-1,3-thiazole-4-carboxamide
SMILESCc1ccc(Cl)cc1NC(=O)c1csc(C(C)N)n1
InChIInChI=1S/C13H14ClN3OS/c1-7-3-4-9(14)5-10(7)16-12(18)11-6-19-13(17-11)8(2)15/h3-6,8H,15H2,1-2H3,(H,16,18)
InChIKeyULKAOSSSRVFLJO-UHFFFAOYSA-N
XLogP3.38
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.80
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(1-aminoethyl)-N-(5-chloro-2-methylphenyl)-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-amino-N-(5-chloro-2-methylphenyl)-1,3-thiazole-4-carboxamide
CID 55116247
2-[1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl]-1,3-thiazole-4-carboxylic acid
CID 16642334
2-(1-aminoethyl)-N-(3-bromo-4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 66388011
2-[[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]amino]-6-methylbenzoic acid
CID 66388794
2-(1-aminoethyl)-N-(2-methyl-4-nitrophenyl)-1,3-thiazole-4-carboxamide
CID 66390995
2-(1-aminoethyl)-N-[3-(dimethylamino)-4-methylphenyl]-1,3-thiazole-4-carboxamide
CID 115377305
2-(1-aminoethyl)-N-[2-(1-hydroxyethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 66388563
2-[[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]amino]benzoic acid
CID 66389507
2-(1-aminoethyl)-N-pyridin-4-yl-1,3-thiazole-4-carboxamide
CID 66372661
2-(1-aminoethyl)-N-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 66390934
N-(5-chloro-2-methylphenyl)-2-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 84554668
2-(1-aminoethyl)-N-hydroxy-1,3-thiazole-4-carboxamide
CID 66389377

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminoethyl)-N-(5-chloro-2-methylphenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(1-aminoethyl)-N-(5-chloro-2-methylphenyl)-1,3-thiazole-4-carboxamide (CID 66373820) is 2-(1-aminoethyl)-N-(5-chloro-2-methylphenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(1-aminoethyl)-N-(5-chloro-2-methylphenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(1-aminoethyl)-N-(5-chloro-2-methylphenyl)-1,3-thiazole-4-carboxamide is Cc1ccc(Cl)cc1NC(=O)c1csc(C(C)N)n1.
What is the InChIKey of 2-(1-aminoethyl)-N-(5-chloro-2-methylphenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is ULKAOSSSRVFLJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3OS/c1-7-3-4-9(14)5-10(7)16-12(18)11-6-19-13(17-11)8(2)15/h3-6,8H,15H2,1-2H3,(H,16,18).
What are the key properties of 2-(1-aminoethyl)-N-(5-chloro-2-methylphenyl)-1,3-thiazole-4-carboxamide?
2-(1-aminoethyl)-N-(5-chloro-2-methylphenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 295.80 g/mol, XLogP of 3.38, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminoethyl)-N-(5-chloro-2-methylphenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 66373820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).