1-(4-amino-3-phenyl-2-sulfanylidene-1,3-thiazol-5-yl)ethanone

C11H10N2OS2 — CID 10037760

IUPAC1-(4-amino-3-phenyl-2-sulfanylidene-1,3-thiazol-5-yl)ethanone
SMILESCC(=O)c1sc(=S)n(-c2ccccc2)c1N
InChIInChI=1S/C11H10N2OS2/c1-7(14)9-10(12)13(11(15)16-9)8-5-3-2-4-6-8/h2-6H,12H2,1H3
InChIKeyMEPDJLBQBYSCKM-UHFFFAOYSA-N
MW250.35 g/mol
LogP3.05
Rot. Bonds2

About 1-(4-amino-3-phenyl-2-sulfanylidene-1,3-thiazol-5-yl)ethanone

1-(4-amino-3-phenyl-2-sulfanylidene-1,3-thiazol-5-yl)ethanone (PubChem CID 10037760) has the molecular formula C11H10N2OS2 and a molecular weight of 250.35 g/mol. Its IUPAC name is 1-(4-amino-3-phenyl-2-sulfanylidene-1,3-thiazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(4-amino-3-phenyl-2-sulfanylidene-1,3-thiazol-5-yl)ethanone
PubChem CID10037760
Molecular FormulaC11H10N2OS2
Molecular Weight250.35 g/mol
Exact Mass250.02
IUPAC Name1-(4-amino-3-phenyl-2-sulfanylidene-1,3-thiazol-5-yl)ethanone
SMILESCC(=O)c1sc(=S)n(-c2ccccc2)c1N
InChIInChI=1S/C11H10N2OS2/c1-7(14)9-10(12)13(11(15)16-9)8-5-3-2-4-6-8/h2-6H,12H2,1H3
InChIKeyMEPDJLBQBYSCKM-UHFFFAOYSA-N
XLogP3.05
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

Piperidine, 1-((4-amino-2,3-dihydro-3-phenyl-2-thioxo-5-thiazolyl)carbonyl)-
CID 866378
4-Amino-5-cyano-2,3-dihydro-3-phenyl-2-thioxothiazole
CID 327473
Methyl 4-amino-2,3-dihydro-3-phenyl-2-thioxo-5-thiazolecarboxylate
CID 866382
4-Amino-3-phenyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carbothioamide
CID 756549
Methyl 4-amino-3-(2,5-difluorophenyl)-2-sulfanylidene-1,3-thiazole-5-carboxylate
CID 3242071
1-(4-Methyl-3-phenyl-2-thioxo-2,3-dihydro-1,3-thiazol-5-yl)ethanone
CID 3727641
4-amino-N-(2-fluorophenyl)-3-methyl-2-sulfanylidene-1,3-thiazole-5-carboxamide
CID 3769533
5-Thiazolecarboxylic acid, 4-amino-2,3-dihydro-3-phenyl-2-thioxo-, ethyl ester
CID 735938
4-Amino-3-(4-methylphenyl)-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxamide
CID 660533
4-amino-N-methyl-3-phenyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxamide
CID 705086
3-Phenyl-2,5-dithioxo-2,3,5,6-tetrahydrothiazolo[4,5-d]pyrimidin-7(4H)-one
CID 3004397
Methyl 4-amino-3-(2,4-difluorophenyl)-2-sulfanylidene-1,3-thiazole-5-carboxylate
CID 3633349

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3-phenyl-2-sulfanylidene-1,3-thiazol-5-yl)ethanone?
The IUPAC name of 1-(4-amino-3-phenyl-2-sulfanylidene-1,3-thiazol-5-yl)ethanone (CID 10037760) is 1-(4-amino-3-phenyl-2-sulfanylidene-1,3-thiazol-5-yl)ethanone.
What is the SMILES notation for 1-(4-amino-3-phenyl-2-sulfanylidene-1,3-thiazol-5-yl)ethanone?
The canonical SMILES for 1-(4-amino-3-phenyl-2-sulfanylidene-1,3-thiazol-5-yl)ethanone is CC(=O)c1sc(=S)n(-c2ccccc2)c1N.
What is the InChIKey of 1-(4-amino-3-phenyl-2-sulfanylidene-1,3-thiazol-5-yl)ethanone?
The InChIKey is MEPDJLBQBYSCKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2OS2/c1-7(14)9-10(12)13(11(15)16-9)8-5-3-2-4-6-8/h2-6H,12H2,1H3.
What are the key properties of 1-(4-amino-3-phenyl-2-sulfanylidene-1,3-thiazol-5-yl)ethanone?
1-(4-amino-3-phenyl-2-sulfanylidene-1,3-thiazol-5-yl)ethanone has a molecular weight of 250.35 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3-phenyl-2-sulfanylidene-1,3-thiazol-5-yl)ethanone is sourced from PubChem (CID 10037760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).