1-[4-amino-2-(N-methylanilino)-1,3-thiazol-5-yl]ethanone

C12H13N3OS — CID 134113848

IUPAC1-[4-amino-2-(N-methylanilino)-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1sc(N(C)c2ccccc2)nc1N
InChIInChI=1S/C12H13N3OS/c1-8(16)10-11(13)14-12(17-10)15(2)9-6-4-3-5-7-9/h3-7H,13H2,1-2H3
InChIKeyHIBVWBIRLSQMPS-UHFFFAOYSA-N
MW247.32 g/mol
LogP2.70
Rot. Bonds3

About 1-[4-amino-2-(N-methylanilino)-1,3-thiazol-5-yl]ethanone

1-[4-amino-2-(N-methylanilino)-1,3-thiazol-5-yl]ethanone (PubChem CID 134113848) has the molecular formula C12H13N3OS and a molecular weight of 247.32 g/mol. Its IUPAC name is 1-[4-amino-2-(N-methylanilino)-1,3-thiazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[4-amino-2-(N-methylanilino)-1,3-thiazol-5-yl]ethanone
PubChem CID134113848
Molecular FormulaC12H13N3OS
Molecular Weight247.32 g/mol
Exact Mass247.08
IUPAC Name1-[4-amino-2-(N-methylanilino)-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1sc(N(C)c2ccccc2)nc1N
InChIInChI=1S/C12H13N3OS/c1-8(16)10-11(13)14-12(17-10)15(2)9-6-4-3-5-7-9/h3-7H,13H2,1-2H3
InChIKeyHIBVWBIRLSQMPS-UHFFFAOYSA-N
XLogP2.70
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-2-(N-methylanilino)-1,3-thiazole-5-carboxamide
CID 30134205
5-acetyl-2-(4-methoxy-N-methylanilino)-1,3-thiazole-4-carboxylic acid
CID 106697276
4-amino-2-[ethyl(methyl)amino]-N-methyl-N-phenyl-1,3-thiazole-5-carboxamide
CID 116667777
1-[4-methyl-2-(N-phenylanilino)-1,3-thiazol-5-yl]ethanone
CID 17391570
5-acetyl-2-(3-methoxy-N-methylanilino)-1,3-thiazole-4-carboxylic acid
CID 106697183
[4-amino-2-(N-(4-hydroxyphenyl)anilino)-1,3-thiazol-5-yl]-(4-methoxyphenyl)methanone
CID 90798676
(5-acetyl-4-methyl-1,3-thiazol-2-yl)-phenylcarbamic acid
CID 69134146
N-(3-acetamidophenyl)-4-methyl-2-(N-methylanilino)-1,3-thiazole-5-carboxamide
CID 30141884
N-(2-methoxyethyl)-4-methyl-2-(N-methylanilino)-1,3-thiazole-5-carboxamide
CID 30134237
5-acetyl-2-(2-cyano-N-methylanilino)-1,3-thiazole-4-carboxylic acid
CID 106697895
2-(3-fluoro-N-methylanilino)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 62765130
N-(2,6-dichlorophenyl)-4-methyl-2-(N-methylanilino)-1,3-thiazole-5-carboxamide
CID 30134324

Frequently Asked Questions

What is the IUPAC name of 1-[4-amino-2-(N-methylanilino)-1,3-thiazol-5-yl]ethanone?
The IUPAC name of 1-[4-amino-2-(N-methylanilino)-1,3-thiazol-5-yl]ethanone (CID 134113848) is 1-[4-amino-2-(N-methylanilino)-1,3-thiazol-5-yl]ethanone.
What is the SMILES notation for 1-[4-amino-2-(N-methylanilino)-1,3-thiazol-5-yl]ethanone?
The canonical SMILES for 1-[4-amino-2-(N-methylanilino)-1,3-thiazol-5-yl]ethanone is CC(=O)c1sc(N(C)c2ccccc2)nc1N.
What is the InChIKey of 1-[4-amino-2-(N-methylanilino)-1,3-thiazol-5-yl]ethanone?
The InChIKey is HIBVWBIRLSQMPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3OS/c1-8(16)10-11(13)14-12(17-10)15(2)9-6-4-3-5-7-9/h3-7H,13H2,1-2H3.
What are the key properties of 1-[4-amino-2-(N-methylanilino)-1,3-thiazol-5-yl]ethanone?
1-[4-amino-2-(N-methylanilino)-1,3-thiazol-5-yl]ethanone has a molecular weight of 247.32 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-amino-2-(N-methylanilino)-1,3-thiazol-5-yl]ethanone is sourced from PubChem (CID 134113848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).