3-(4-phenyl-1,3-thiazol-2-yl)-2-sulfanylideneimidazolidin-4-one

C12H9N3OS2 — CID 899465

IUPAC3-(4-phenyl-1,3-thiazol-2-yl)-2-sulfanylideneimidazolidin-4-one
SMILESO=C1CNC(=S)N1c1nc(-c2ccccc2)cs1
InChIInChI=1S/C12H9N3OS2/c16-10-6-13-11(17)15(10)12-14-9(7-18-12)8-4-2-1-3-5-8/h1-5,7H,6H2,(H,13,17)
InChIKeyAOZFVNQLWLAVQQ-UHFFFAOYSA-N
MW275.36 g/mol
LogP2.03
Rot. Bonds2

About 3-(4-phenyl-1,3-thiazol-2-yl)-2-sulfanylideneimidazolidin-4-one

3-(4-phenyl-1,3-thiazol-2-yl)-2-sulfanylideneimidazolidin-4-one (PubChem CID 899465) has the molecular formula C12H9N3OS2 and a molecular weight of 275.36 g/mol. Its IUPAC name is 3-(4-phenyl-1,3-thiazol-2-yl)-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name3-(4-phenyl-1,3-thiazol-2-yl)-2-sulfanylideneimidazolidin-4-one
PubChem CID899465
Molecular FormulaC12H9N3OS2
Molecular Weight275.36 g/mol
Exact Mass275.02
IUPAC Name3-(4-phenyl-1,3-thiazol-2-yl)-2-sulfanylideneimidazolidin-4-one
SMILESO=C1CNC(=S)N1c1nc(-c2ccccc2)cs1
InChIInChI=1S/C12H9N3OS2/c16-10-6-13-11(17)15(10)12-14-9(7-18-12)8-4-2-1-3-5-8/h1-5,7H,6H2,(H,13,17)
InChIKeyAOZFVNQLWLAVQQ-UHFFFAOYSA-N
XLogP2.03
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-Phenyl-N-(2-phenylethyl)-2-thiazolamine
CID 54339
N-cyclohexyl-4-phenyl-1,3-thiazol-2-amine
CID 2447522
2-Cinnamamido-4-phenylthiazole
CID 690181
N-(4-Phenyl-1,3-thiazol-2-yl)-7-sulfanyl-heptanamide
CID 11427204
(2S)-2-[(1-methylpiperidin-2-yl)formamido]-8-oxo-N-(4-phenyl-1,3-thiazol-2-yl)nonanamide
CID 16036765
2-Morpholino-N-(4-phenylthiazol-2-yl)acetamide
CID 783107
2-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 813276
Dodecanamide, N-(4-phenyl-2-thiazolyl)-
CID 3054676
Ptach
CID 11395181
N-methyl-4-phenylthiazol-2-amine
CID 824443
2-chloro-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 2781529
2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 861927

Frequently Asked Questions

What is the IUPAC name of 3-(4-phenyl-1,3-thiazol-2-yl)-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of 3-(4-phenyl-1,3-thiazol-2-yl)-2-sulfanylideneimidazolidin-4-one (CID 899465) is 3-(4-phenyl-1,3-thiazol-2-yl)-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for 3-(4-phenyl-1,3-thiazol-2-yl)-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for 3-(4-phenyl-1,3-thiazol-2-yl)-2-sulfanylideneimidazolidin-4-one is O=C1CNC(=S)N1c1nc(-c2ccccc2)cs1.
What is the InChIKey of 3-(4-phenyl-1,3-thiazol-2-yl)-2-sulfanylideneimidazolidin-4-one?
The InChIKey is AOZFVNQLWLAVQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3OS2/c16-10-6-13-11(17)15(10)12-14-9(7-18-12)8-4-2-1-3-5-8/h1-5,7H,6H2,(H,13,17).
What are the key properties of 3-(4-phenyl-1,3-thiazol-2-yl)-2-sulfanylideneimidazolidin-4-one?
3-(4-phenyl-1,3-thiazol-2-yl)-2-sulfanylideneimidazolidin-4-one has a molecular weight of 275.36 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-phenyl-1,3-thiazol-2-yl)-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 899465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).