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

C12H13N3OS — CID 43218994

IUPAC2-amino-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
SMILESCc1nc(-c2cccc(NC(=O)CN)c2)cs1
InChIInChI=1S/C12H13N3OS/c1-8-14-11(7-17-8)9-3-2-4-10(5-9)15-12(16)6-13/h2-5,7H,6,13H2,1H3,(H,15,16)
InChIKeyPLFMLIABLFGFGN-UHFFFAOYSA-N
MW247.32 g/mol
LogP2.02
Rot. Bonds3

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

2-amino-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide (PubChem CID 43218994) has the molecular formula C12H13N3OS and a molecular weight of 247.32 g/mol. Its IUPAC name is 2-amino-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
PubChem CID43218994
Molecular FormulaC12H13N3OS
Molecular Weight247.32 g/mol
Exact Mass247.08
IUPAC Name2-amino-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
SMILESCc1nc(-c2cccc(NC(=O)CN)c2)cs1
InChIInChI=1S/C12H13N3OS/c1-8-14-11(7-17-8)9-3-2-4-10(5-9)15-12(16)6-13/h2-5,7H,6,13H2,1H3,(H,15,16)
InChIKeyPLFMLIABLFGFGN-UHFFFAOYSA-N
XLogP2.02
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide
CID 54924319
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
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-[butyl(ethyl)amino]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 34603207
2-chloro-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide
CID 43699209
[2-[3-(2-methyl-1,3-thiazol-4-yl)anilino]-2-oxoethyl] 2-[(2-phenoxyacetyl)amino]acetate
CID 55356708
2-amino-3,3-dimethyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide
CID 76887854
[2-[3-(2-methyl-1,3-thiazol-4-yl)anilino]-2-oxoethyl] 2,3-dimethylquinoxaline-6-carboxylate
CID 18266558
N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-pyrrolidin-2-ylacetamide
CID 61364047
2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 111427212

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide?
The IUPAC name of 2-amino-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide (CID 43218994) is 2-amino-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide.
What is the SMILES notation for 2-amino-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide?
The canonical SMILES for 2-amino-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide is Cc1nc(-c2cccc(NC(=O)CN)c2)cs1.
What is the InChIKey of 2-amino-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide?
The InChIKey is PLFMLIABLFGFGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3OS/c1-8-14-11(7-17-8)9-3-2-4-10(5-9)15-12(16)6-13/h2-5,7H,6,13H2,1H3,(H,15,16).
What are the key properties of 2-amino-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide?
2-amino-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide has a molecular weight of 247.32 g/mol, XLogP of 2.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide is sourced from PubChem (CID 43218994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).