1-[4-methyl-2-(3-propan-2-ylanilino)-1,3-thiazol-5-yl]ethanone

C15H18N2OS — CID 47302553

IUPAC1-[4-methyl-2-(3-propan-2-ylanilino)-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1sc(Nc2cccc(C(C)C)c2)nc1C
InChIInChI=1S/C15H18N2OS/c1-9(2)12-6-5-7-13(8-12)17-15-16-10(3)14(19-15)11(4)18/h5-9H,1-4H3,(H,16,17)
InChIKeyICOYTRKIYBJTGQ-UHFFFAOYSA-N
MW274.39 g/mol
LogP4.52
Rot. Bonds4

About 1-[4-methyl-2-(3-propan-2-ylanilino)-1,3-thiazol-5-yl]ethanone

1-[4-methyl-2-(3-propan-2-ylanilino)-1,3-thiazol-5-yl]ethanone (PubChem CID 47302553) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is 1-[4-methyl-2-(3-propan-2-ylanilino)-1,3-thiazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[4-methyl-2-(3-propan-2-ylanilino)-1,3-thiazol-5-yl]ethanone
PubChem CID47302553
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC Name1-[4-methyl-2-(3-propan-2-ylanilino)-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1sc(Nc2cccc(C(C)C)c2)nc1C
InChIInChI=1S/C15H18N2OS/c1-9(2)12-6-5-7-13(8-12)17-15-16-10(3)14(19-15)11(4)18/h5-9H,1-4H3,(H,16,17)
InChIKeyICOYTRKIYBJTGQ-UHFFFAOYSA-N
XLogP4.52
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(4-hydroxyanilino)-4-methyl-1,3-thiazol-5-yl]ethanone
CID 169101363
1-[2-(3-chloro-4-fluoroanilino)-4-methyl-1,3-thiazol-5-yl]ethanone
CID 4816637
methyl 2-(3-methoxyanilino)-4-methyl-1,3-thiazole-5-carboxylate
CID 78916420
1-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-(4-propan-2-ylphenyl)urea
CID 35281693
1-[4-amino-2-(3-methylanilino)-1,3-thiazol-5-yl]ethanone
CID 46285576
4-methyl-2-(3-methylanilino)-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide
CID 53152765
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-propan-2-ylbenzamide
CID 1406508
methyl 5-acetyl-2-(3-methylanilino)-1,3-thiazole-4-carboxylate
CID 106696860
bis(2-anilino-4-methyl-1,3-thiazol-5-yl)methanone
CID 87664196
4-[(5-acetyl-4-methyl-1,3-thiazol-2-yl)amino]-2-methylbenzenesulfonamide
CID 13162308
2-[3-(methoxymethyl)anilino]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 80569682
1-[2-[4-chloro-3-(trifluoromethyl)anilino]-4-methyl-1,3-thiazol-5-yl]ethanone
CID 118732493

Frequently Asked Questions

What is the IUPAC name of 1-[4-methyl-2-(3-propan-2-ylanilino)-1,3-thiazol-5-yl]ethanone?
The IUPAC name of 1-[4-methyl-2-(3-propan-2-ylanilino)-1,3-thiazol-5-yl]ethanone (CID 47302553) is 1-[4-methyl-2-(3-propan-2-ylanilino)-1,3-thiazol-5-yl]ethanone.
What is the SMILES notation for 1-[4-methyl-2-(3-propan-2-ylanilino)-1,3-thiazol-5-yl]ethanone?
The canonical SMILES for 1-[4-methyl-2-(3-propan-2-ylanilino)-1,3-thiazol-5-yl]ethanone is CC(=O)c1sc(Nc2cccc(C(C)C)c2)nc1C.
What is the InChIKey of 1-[4-methyl-2-(3-propan-2-ylanilino)-1,3-thiazol-5-yl]ethanone?
The InChIKey is ICOYTRKIYBJTGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-9(2)12-6-5-7-13(8-12)17-15-16-10(3)14(19-15)11(4)18/h5-9H,1-4H3,(H,16,17).
What are the key properties of 1-[4-methyl-2-(3-propan-2-ylanilino)-1,3-thiazol-5-yl]ethanone?
1-[4-methyl-2-(3-propan-2-ylanilino)-1,3-thiazol-5-yl]ethanone has a molecular weight of 274.39 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methyl-2-(3-propan-2-ylanilino)-1,3-thiazol-5-yl]ethanone is sourced from PubChem (CID 47302553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).