1-phenyl-3-(1,3-thiazol-2-yl)thiourea

C10H9N3S2 — CID 719408

IUPAC1-phenyl-3-(1,3-thiazol-2-yl)thiourea
SMILESS=C(Nc1ccccc1)Nc1nccs1
InChIInChI=1S/C10H9N3S2/c14-9(13-10-11-6-7-15-10)12-8-4-2-1-3-5-8/h1-7H,(H2,11,12,13,14)
InChIKeyGCZZOZBWAZHCAN-UHFFFAOYSA-N
MW235.34 g/mol
LogP2.95
Rot. Bonds2

About 1-phenyl-3-(1,3-thiazol-2-yl)thiourea

1-phenyl-3-(1,3-thiazol-2-yl)thiourea (PubChem CID 719408) has the molecular formula C10H9N3S2 and a molecular weight of 235.34 g/mol. Its IUPAC name is 1-phenyl-3-(1,3-thiazol-2-yl)thiourea.

Molecular Properties

Compound Name1-phenyl-3-(1,3-thiazol-2-yl)thiourea
PubChem CID719408
Molecular FormulaC10H9N3S2
Molecular Weight235.34 g/mol
Exact Mass235.02
IUPAC Name1-phenyl-3-(1,3-thiazol-2-yl)thiourea
SMILESS=C(Nc1ccccc1)Nc1nccs1
InChIInChI=1S/C10H9N3S2/c14-9(13-10-11-6-7-15-10)12-8-4-2-1-3-5-8/h1-7H,(H2,11,12,13,14)
InChIKeyGCZZOZBWAZHCAN-UHFFFAOYSA-N
XLogP2.95
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.34
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 1-phenyl-3-(1,3-thiazol-2-yl)thiourea?
The IUPAC name of 1-phenyl-3-(1,3-thiazol-2-yl)thiourea (CID 719408) is 1-phenyl-3-(1,3-thiazol-2-yl)thiourea.
What is the SMILES notation for 1-phenyl-3-(1,3-thiazol-2-yl)thiourea?
The canonical SMILES for 1-phenyl-3-(1,3-thiazol-2-yl)thiourea is S=C(Nc1ccccc1)Nc1nccs1.
What is the InChIKey of 1-phenyl-3-(1,3-thiazol-2-yl)thiourea?
The InChIKey is GCZZOZBWAZHCAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3S2/c14-9(13-10-11-6-7-15-10)12-8-4-2-1-3-5-8/h1-7H,(H2,11,12,13,14).
What are the key properties of 1-phenyl-3-(1,3-thiazol-2-yl)thiourea?
1-phenyl-3-(1,3-thiazol-2-yl)thiourea has a molecular weight of 235.34 g/mol, XLogP of 2.95, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-(1,3-thiazol-2-yl)thiourea is sourced from PubChem (CID 719408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).