5-amino-2-phenyl-1,3-thiazole-4-carbothioamide

C10H9N3S2 — CID 125494165

IUPAC5-amino-2-phenyl-1,3-thiazole-4-carbothioamide
SMILESNC(=S)c1nc(-c2ccccc2)sc1N
InChIInChI=1S/C10H9N3S2/c11-8(14)7-9(12)15-10(13-7)6-4-2-1-3-5-6/h1-5H,12H2,(H2,11,14)
InChIKeyFQWQECGMFSAFJQ-UHFFFAOYSA-N
MW235.34 g/mol
LogP2.03
Rot. Bonds2

About 5-amino-2-phenyl-1,3-thiazole-4-carbothioamide

5-amino-2-phenyl-1,3-thiazole-4-carbothioamide (PubChem CID 125494165) has the molecular formula C10H9N3S2 and a molecular weight of 235.34 g/mol. Its IUPAC name is 5-amino-2-phenyl-1,3-thiazole-4-carbothioamide.

Molecular Properties

Compound Name5-amino-2-phenyl-1,3-thiazole-4-carbothioamide
PubChem CID125494165
Molecular FormulaC10H9N3S2
Molecular Weight235.34 g/mol
Exact Mass235.02
IUPAC Name5-amino-2-phenyl-1,3-thiazole-4-carbothioamide
SMILESNC(=S)c1nc(-c2ccccc2)sc1N
InChIInChI=1S/C10H9N3S2/c11-8(14)7-9(12)15-10(13-7)6-4-2-1-3-5-6/h1-5H,12H2,(H2,11,14)
InChIKeyFQWQECGMFSAFJQ-UHFFFAOYSA-N
XLogP2.03
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.34
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-phenyl-1,3-thiazole-4-carbothioamide?
The IUPAC name of 5-amino-2-phenyl-1,3-thiazole-4-carbothioamide (CID 125494165) is 5-amino-2-phenyl-1,3-thiazole-4-carbothioamide.
What is the SMILES notation for 5-amino-2-phenyl-1,3-thiazole-4-carbothioamide?
The canonical SMILES for 5-amino-2-phenyl-1,3-thiazole-4-carbothioamide is NC(=S)c1nc(-c2ccccc2)sc1N.
What is the InChIKey of 5-amino-2-phenyl-1,3-thiazole-4-carbothioamide?
The InChIKey is FQWQECGMFSAFJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3S2/c11-8(14)7-9(12)15-10(13-7)6-4-2-1-3-5-6/h1-5H,12H2,(H2,11,14).
What are the key properties of 5-amino-2-phenyl-1,3-thiazole-4-carbothioamide?
5-amino-2-phenyl-1,3-thiazole-4-carbothioamide has a molecular weight of 235.34 g/mol, XLogP of 2.03, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-phenyl-1,3-thiazole-4-carbothioamide is sourced from PubChem (CID 125494165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).