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

C14H16N4O2S — CID 66390219

IUPAC2-(2-aminoethyl)-N-(3-carbamoyl-2-methylphenyl)-1,3-thiazole-4-carboxamide
SMILESCc1c(NC(=O)c2csc(CCN)n2)cccc1C(N)=O
InChIInChI=1S/C14H16N4O2S/c1-8-9(13(16)19)3-2-4-10(8)18-14(20)11-7-21-12(17-11)5-6-15/h2-4,7H,5-6,15H2,1H3,(H2,16,19)(H,18,20)
InChIKeyULBYFKMUQOPJSX-UHFFFAOYSA-N
MW304.38 g/mol
LogP1.30
Rot. Bonds5

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

2-(2-aminoethyl)-N-(3-carbamoyl-2-methylphenyl)-1,3-thiazole-4-carboxamide (PubChem CID 66390219) has the molecular formula C14H16N4O2S and a molecular weight of 304.38 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-(3-carbamoyl-2-methylphenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-(3-carbamoyl-2-methylphenyl)-1,3-thiazole-4-carboxamide
PubChem CID66390219
Molecular FormulaC14H16N4O2S
Molecular Weight304.38 g/mol
Exact Mass304.10
IUPAC Name2-(2-aminoethyl)-N-(3-carbamoyl-2-methylphenyl)-1,3-thiazole-4-carboxamide
SMILESCc1c(NC(=O)c2csc(CCN)n2)cccc1C(N)=O
InChIInChI=1S/C14H16N4O2S/c1-8-9(13(16)19)3-2-4-10(8)18-14(20)11-7-21-12(17-11)5-6-15/h2-4,7H,5-6,15H2,1H3,(H2,16,19)(H,18,20)
InChIKeyULBYFKMUQOPJSX-UHFFFAOYSA-N
XLogP1.30
TPSA111.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-(2-aminoethyl)-N-(3-carbamoyl-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-(2-aminoethyl)-N-(3-hydroxy-2,4-dimethylphenyl)-1,3-thiazole-4-carboxamide
CID 66390225
2-(2-aminoethyl)-N-[2-methyl-3-(propan-2-ylsulfanylmethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 120635673
2-(2-aminoethyl)-N-(2-cyano-3-methylphenyl)-1,3-thiazole-4-carboxamide
CID 107805115
2-(2-aminoethyl)-N-[2-(2-methylpropylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide
CID 120617706
2-(2-aminoethyl)-N-(2-ethoxyphenyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120616687
2-(2-aminoethyl)-N-[2-(2-methylpropoxy)phenyl]-1,3-thiazole-4-carboxamide
CID 120621264
2-(2-aminoethyl)-N-(2,3,4-trifluorophenyl)-1,3-thiazole-4-carboxamide
CID 66373606
2-(2-aminoethyl)-N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120621704
2-(aminomethyl)-N-(5-carbamoyl-3-fluoro-2-methylphenyl)-1,3-thiazole-4-carboxamide
CID 66376283
2-(2-aminoethyl)-N-(2,5-dimethylpyrrol-1-yl)-1,3-thiazole-4-carboxamide
CID 79100029
2-(2-aminoethyl)-N-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 66372668
2-(2-aminoethyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 66375134

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-(3-carbamoyl-2-methylphenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(2-aminoethyl)-N-(3-carbamoyl-2-methylphenyl)-1,3-thiazole-4-carboxamide (CID 66390219) is 2-(2-aminoethyl)-N-(3-carbamoyl-2-methylphenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(2-aminoethyl)-N-(3-carbamoyl-2-methylphenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(2-aminoethyl)-N-(3-carbamoyl-2-methylphenyl)-1,3-thiazole-4-carboxamide is Cc1c(NC(=O)c2csc(CCN)n2)cccc1C(N)=O.
What is the InChIKey of 2-(2-aminoethyl)-N-(3-carbamoyl-2-methylphenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is ULBYFKMUQOPJSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2S/c1-8-9(13(16)19)3-2-4-10(8)18-14(20)11-7-21-12(17-11)5-6-15/h2-4,7H,5-6,15H2,1H3,(H2,16,19)(H,18,20).
What are the key properties of 2-(2-aminoethyl)-N-(3-carbamoyl-2-methylphenyl)-1,3-thiazole-4-carboxamide?
2-(2-aminoethyl)-N-(3-carbamoyl-2-methylphenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 304.38 g/mol, XLogP of 1.30, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-N-(3-carbamoyl-2-methylphenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 66390219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).