2-(2-methylanilino)-N-(1,3-thiazol-2-yl)acetamide

C12H13N3OS — CID 125483975

IUPAC2-(2-methylanilino)-N-(1,3-thiazol-2-yl)acetamide
SMILESCc1ccccc1NCC(=O)Nc1nccs1
InChIInChI=1S/C12H13N3OS/c1-9-4-2-3-5-10(9)14-8-11(16)15-12-13-6-7-17-12/h2-7,14H,8H2,1H3,(H,13,15,16)
InChIKeyOCETXRDBWLYBNI-UHFFFAOYSA-N
MW247.32 g/mol
LogP2.50
Rot. Bonds4

About 2-(2-methylanilino)-N-(1,3-thiazol-2-yl)acetamide

2-(2-methylanilino)-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 125483975) has the molecular formula C12H13N3OS and a molecular weight of 247.32 g/mol. Its IUPAC name is 2-(2-methylanilino)-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(2-methylanilino)-N-(1,3-thiazol-2-yl)acetamide
PubChem CID125483975
Molecular FormulaC12H13N3OS
Molecular Weight247.32 g/mol
Exact Mass247.08
IUPAC Name2-(2-methylanilino)-N-(1,3-thiazol-2-yl)acetamide
SMILESCc1ccccc1NCC(=O)Nc1nccs1
InChIInChI=1S/C12H13N3OS/c1-9-4-2-3-5-10(9)14-8-11(16)15-12-13-6-7-17-12/h2-7,14H,8H2,1H3,(H,13,15,16)
InChIKeyOCETXRDBWLYBNI-UHFFFAOYSA-N
XLogP2.50
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-ethoxyanilino)-N-(1,3-thiazol-2-yl)acetamide
CID 66521973
2-(2,5-dimethylpyrrol-1-yl)-N-(1,3-thiazol-2-yl)acetamide
CID 110688880
N-(2-phenoxyphenyl)-2-(1,3-thiazol-2-ylamino)acetamide
CID 110694157
N-pyrimidin-2-yl-2-(1,3-thiazol-2-ylamino)acetamide
CID 110694143
2-(2-bromophenyl)-N-(1,3-thiazol-2-yl)acetamide
CID 102584550
2-(2-methylanilino)acetohydrazide
CID 730478
2-(2-methylanilino)-N-(4-methylphenyl)acetamide
CID 7636705
2-(3-methylphenyl)-N-(1,3-thiazol-2-yl)acetamide
CID 6468138
N-(cyclopropylmethyl)-2-methyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide
CID 814289
N-[5-[(2,6-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2-methylanilino)acetamide
CID 7454401
2-(butan-2-ylamino)-N-(1,3-thiazol-2-yl)acetamide
CID 42768343
2-(2,3-dimethylanilino)-N-(1,3-thiazol-2-yl)propanamide
CID 25247027

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylanilino)-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(2-methylanilino)-N-(1,3-thiazol-2-yl)acetamide (CID 125483975) is 2-(2-methylanilino)-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(2-methylanilino)-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(2-methylanilino)-N-(1,3-thiazol-2-yl)acetamide is Cc1ccccc1NCC(=O)Nc1nccs1.
What is the InChIKey of 2-(2-methylanilino)-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is OCETXRDBWLYBNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3OS/c1-9-4-2-3-5-10(9)14-8-11(16)15-12-13-6-7-17-12/h2-7,14H,8H2,1H3,(H,13,15,16).
What are the key properties of 2-(2-methylanilino)-N-(1,3-thiazol-2-yl)acetamide?
2-(2-methylanilino)-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 247.32 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylanilino)-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 125483975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).