3-amino-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide

C14H17N3OS — CID 54924319

IUPAC3-amino-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide
SMILESCc1nc(-c2cccc(NC(=O)CC(C)N)c2)cs1
InChIInChI=1S/C14H17N3OS/c1-9(15)6-14(18)17-12-5-3-4-11(7-12)13-8-19-10(2)16-13/h3-5,7-9H,6,15H2,1-2H3,(H,17,18)
InChIKeyYXDKVJQUCTZWGZ-UHFFFAOYSA-N
MW275.38 g/mol
LogP2.79
Rot. Bonds4

About 3-amino-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide

3-amino-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide (PubChem CID 54924319) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is 3-amino-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide.

Molecular Properties

Compound Name3-amino-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide
PubChem CID54924319
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC Name3-amino-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide
SMILESCc1nc(-c2cccc(NC(=O)CC(C)N)c2)cs1
InChIInChI=1S/C14H17N3OS/c1-9(15)6-14(18)17-12-5-3-4-11(7-12)13-8-19-10(2)16-13/h3-5,7-9H,6,15H2,1-2H3,(H,17,18)
InChIKeyYXDKVJQUCTZWGZ-UHFFFAOYSA-N
XLogP2.79
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-amino-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide 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-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 43218994
3-amino-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide;hydrochloride
CID 119694022
2-chloro-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide
CID 43699209
2-amino-3,3-dimethyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide
CID 76887854
5-bromo-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]pentanamide
CID 107908820
2-(4-methoxyphenyl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 852161
(2S)-2-amino-4-methylsulfanyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide;hydrochloride
CID 119270939
N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 766934
2-(2-fluoroanilino)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 26507291
2-[cyclopropyl-[2-[3-(2-methyl-1,3-thiazol-4-yl)anilino]-2-oxoethyl]amino]propanoic acid
CID 122100507
(2R)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-phenylbutanamide
CID 7366238
2-[butyl(ethyl)amino]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 34603207

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide?
The IUPAC name of 3-amino-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide (CID 54924319) is 3-amino-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide.
What is the SMILES notation for 3-amino-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide?
The canonical SMILES for 3-amino-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide is Cc1nc(-c2cccc(NC(=O)CC(C)N)c2)cs1.
What is the InChIKey of 3-amino-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide?
The InChIKey is YXDKVJQUCTZWGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-9(15)6-14(18)17-12-5-3-4-11(7-12)13-8-19-10(2)16-13/h3-5,7-9H,6,15H2,1-2H3,(H,17,18).
What are the key properties of 3-amino-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide?
3-amino-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide has a molecular weight of 275.38 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide is sourced from PubChem (CID 54924319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).