1-[4-amino-2-(3-methylsulfanylanilino)-1,3-thiazol-5-yl]propan-1-one

C13H15N3OS2 — CID 46285692

IUPAC1-[4-amino-2-(3-methylsulfanylanilino)-1,3-thiazol-5-yl]propan-1-one
SMILESCCC(=O)c1sc(Nc2cccc(SC)c2)nc1N
InChIInChI=1S/C13H15N3OS2/c1-3-10(17)11-12(14)16-13(19-11)15-8-5-4-6-9(7-8)18-2/h4-7H,3,14H2,1-2H3,(H,15,16)
InChIKeyHRVRHSROZCWAAJ-UHFFFAOYSA-N
MW293.42 g/mol
LogP3.78
Rot. Bonds5

About 1-[4-amino-2-(3-methylsulfanylanilino)-1,3-thiazol-5-yl]propan-1-one

1-[4-amino-2-(3-methylsulfanylanilino)-1,3-thiazol-5-yl]propan-1-one (PubChem CID 46285692) has the molecular formula C13H15N3OS2 and a molecular weight of 293.42 g/mol. Its IUPAC name is 1-[4-amino-2-(3-methylsulfanylanilino)-1,3-thiazol-5-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-amino-2-(3-methylsulfanylanilino)-1,3-thiazol-5-yl]propan-1-one
PubChem CID46285692
Molecular FormulaC13H15N3OS2
Molecular Weight293.42 g/mol
Exact Mass293.07
IUPAC Name1-[4-amino-2-(3-methylsulfanylanilino)-1,3-thiazol-5-yl]propan-1-one
SMILESCCC(=O)c1sc(Nc2cccc(SC)c2)nc1N
InChIInChI=1S/C13H15N3OS2/c1-3-10(17)11-12(14)16-13(19-11)15-8-5-4-6-9(7-8)18-2/h4-7H,3,14H2,1-2H3,(H,15,16)
InChIKeyHRVRHSROZCWAAJ-UHFFFAOYSA-N
XLogP3.78
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.42
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-acetyl-2-(3-methylsulfanylanilino)-1,3-thiazole-4-carboxylic acid
CID 106696714
1-[4-amino-2-(2-ethylanilino)-1,3-thiazol-5-yl]propan-1-one
CID 50761438
1-[4-amino-2-(3-methylanilino)-1,3-thiazol-5-yl]ethanone
CID 46285576
methyl 3-[[4-amino-5-(3-methylbutanoyl)-1,3-thiazol-2-yl]amino]benzoate
CID 50761493
2-(4-fluoroanilino)-4-methyl-N-(3-methylsulfanylphenyl)-1,3-thiazole-5-carboxamide
CID 30142360
1-(2-anilino-4-methyl-1,3-thiazol-5-yl)propan-1-one;ethane
CID 144672585
N-[3-[2-[4-amino-2-(3-methylsulfanylanilino)-1,3-thiazol-5-yl]-1,3-thiazol-4-yl]phenyl]benzamide
CID 22994130
7-chloro-N-(3-methylsulfanylphenyl)-1,3-benzothiazol-2-amine
CID 43306507
[4-amino-2-(3-methoxyanilino)-1,3-thiazol-5-yl]-(2-fluorophenyl)methanone
CID 50761488
N-[6-[(3-methylsulfanylphenyl)carbamoylamino]-1,3-benzothiazol-2-yl]propanamide
CID 46325771
[4-amino-2-(3-chloroanilino)-1,3-thiazol-5-yl]-phenylmethanone
CID 50761385
6-methoxy-N-(3-methylsulfanylphenyl)-1,3-benzothiazol-2-amine
CID 53414965

Frequently Asked Questions

What is the IUPAC name of 1-[4-amino-2-(3-methylsulfanylanilino)-1,3-thiazol-5-yl]propan-1-one?
The IUPAC name of 1-[4-amino-2-(3-methylsulfanylanilino)-1,3-thiazol-5-yl]propan-1-one (CID 46285692) is 1-[4-amino-2-(3-methylsulfanylanilino)-1,3-thiazol-5-yl]propan-1-one.
What is the SMILES notation for 1-[4-amino-2-(3-methylsulfanylanilino)-1,3-thiazol-5-yl]propan-1-one?
The canonical SMILES for 1-[4-amino-2-(3-methylsulfanylanilino)-1,3-thiazol-5-yl]propan-1-one is CCC(=O)c1sc(Nc2cccc(SC)c2)nc1N.
What is the InChIKey of 1-[4-amino-2-(3-methylsulfanylanilino)-1,3-thiazol-5-yl]propan-1-one?
The InChIKey is HRVRHSROZCWAAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS2/c1-3-10(17)11-12(14)16-13(19-11)15-8-5-4-6-9(7-8)18-2/h4-7H,3,14H2,1-2H3,(H,15,16).
What are the key properties of 1-[4-amino-2-(3-methylsulfanylanilino)-1,3-thiazol-5-yl]propan-1-one?
1-[4-amino-2-(3-methylsulfanylanilino)-1,3-thiazol-5-yl]propan-1-one has a molecular weight of 293.42 g/mol, XLogP of 3.78, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-amino-2-(3-methylsulfanylanilino)-1,3-thiazol-5-yl]propan-1-one is sourced from PubChem (CID 46285692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).