1-(2-anilino-1,3-thiazol-4-yl)propan-1-one

C12H12N2OS — CID 58966318

IUPAC1-(2-anilino-1,3-thiazol-4-yl)propan-1-one
SMILESCCC(=O)c1csc(Nc2ccccc2)n1
InChIInChI=1S/C12H12N2OS/c1-2-11(15)10-8-16-12(14-10)13-9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H,13,14)
InChIKeyJLMVVNJUSJVSJN-UHFFFAOYSA-N
MW232.31 g/mol
LogP3.48
Rot. Bonds4

About 1-(2-anilino-1,3-thiazol-4-yl)propan-1-one

1-(2-anilino-1,3-thiazol-4-yl)propan-1-one (PubChem CID 58966318) has the molecular formula C12H12N2OS and a molecular weight of 232.31 g/mol. Its IUPAC name is 1-(2-anilino-1,3-thiazol-4-yl)propan-1-one.

Molecular Properties

Compound Name1-(2-anilino-1,3-thiazol-4-yl)propan-1-one
PubChem CID58966318
Molecular FormulaC12H12N2OS
Molecular Weight232.31 g/mol
Exact Mass232.07
IUPAC Name1-(2-anilino-1,3-thiazol-4-yl)propan-1-one
SMILESCCC(=O)c1csc(Nc2ccccc2)n1
InChIInChI=1S/C12H12N2OS/c1-2-11(15)10-8-16-12(14-10)13-9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H,13,14)
InChIKeyJLMVVNJUSJVSJN-UHFFFAOYSA-N
XLogP3.48
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.31
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-anilino-1,3-thiazole-4-carboxylate
CID 15053537
2-[(2-anilino-1,3-thiazole-4-carbonyl)amino]acetic acid
CID 42813690
N-[4-(2-anilino-1,3-thiazol-4-yl)phenyl]propanamide;hydrochloride
CID 42914899
2-anilino-N-cyclopropyl-1,3-thiazole-4-carboxamide
CID 30860157
2-anilino-N-[2-[di(propan-2-yl)amino]ethyl]-1,3-thiazole-4-carboxamide
CID 117085099
2-(2-anilino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl chloride
CID 142637273
1-(2-anilino-4-methyl-1,3-thiazol-5-yl)propan-1-one;ethane
CID 144672585
3-[(2-anilino-1,3-thiazole-4-carbonyl)-cyclopropylamino]propanoic acid
CID 42795963
2-(4-butylanilino)-1,3-thiazole-4-carboxylic acid
CID 79024050
N-[4-(2-anilino-1,3-thiazol-4-yl)phenyl]butanamide
CID 935726
2-(4-tert-butylanilino)-1,3-thiazole-4-carboxylic acid
CID 79023863
1-(2-anilinopyrimidin-4-yl)propan-1-one
CID 10198463

Frequently Asked Questions

What is the IUPAC name of 1-(2-anilino-1,3-thiazol-4-yl)propan-1-one?
The IUPAC name of 1-(2-anilino-1,3-thiazol-4-yl)propan-1-one (CID 58966318) is 1-(2-anilino-1,3-thiazol-4-yl)propan-1-one.
What is the SMILES notation for 1-(2-anilino-1,3-thiazol-4-yl)propan-1-one?
The canonical SMILES for 1-(2-anilino-1,3-thiazol-4-yl)propan-1-one is CCC(=O)c1csc(Nc2ccccc2)n1.
What is the InChIKey of 1-(2-anilino-1,3-thiazol-4-yl)propan-1-one?
The InChIKey is JLMVVNJUSJVSJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2OS/c1-2-11(15)10-8-16-12(14-10)13-9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H,13,14).
What are the key properties of 1-(2-anilino-1,3-thiazol-4-yl)propan-1-one?
1-(2-anilino-1,3-thiazol-4-yl)propan-1-one has a molecular weight of 232.31 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-anilino-1,3-thiazol-4-yl)propan-1-one is sourced from PubChem (CID 58966318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).