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

C10H9N3S2 — CID 799782

IUPAC(4-phenyl-1,3-thiazol-2-yl)thiourea
SMILESNC(=S)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C10H9N3S2/c11-9(14)13-10-12-8(6-15-10)7-4-2-1-3-5-7/h1-6H,(H3,11,12,13,14)
InChIKeyUCIPRGBBFKCVEY-UHFFFAOYSA-N
MW235.34 g/mol
LogP2.47
Rot. Bonds2

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

(4-phenyl-1,3-thiazol-2-yl)thiourea (PubChem CID 799782) has the molecular formula C10H9N3S2 and a molecular weight of 235.34 g/mol. Its IUPAC name is (4-phenyl-1,3-thiazol-2-yl)thiourea.

Molecular Properties

Compound Name(4-phenyl-1,3-thiazol-2-yl)thiourea
PubChem CID799782
Molecular FormulaC10H9N3S2
Molecular Weight235.34 g/mol
Exact Mass235.02
IUPAC Name(4-phenyl-1,3-thiazol-2-yl)thiourea
SMILESNC(=S)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C10H9N3S2/c11-9(14)13-10-12-8(6-15-10)7-4-2-1-3-5-7/h1-6H,(H3,11,12,13,14)
InChIKeyUCIPRGBBFKCVEY-UHFFFAOYSA-N
XLogP2.47
TPSA50.94 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 ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,3-bis(4-phenyl-1,3-thiazol-2-yl)urea
CID 13089293
N-(4-phenyl-1,3-thiazol-2-yl)cyclopentanecarboxamide
CID 2163654
1-(4-phenyl-1,3-thiazol-2-yl)-3-prop-2-enylthiourea
CID 4763317
4-fluoro-N-[(4-phenyl-1,3-thiazol-2-yl)carbamothioyl]benzamide
CID 1275742
4-methyl-N-(4-phenyl-1,3-thiazol-2-yl)piperazine-1-carbothioamide
CID 54455435
(2S)-2-amino-N-(4-phenyl-1,3-thiazol-2-yl)propanamide;hydrochloride
CID 153333164
4-oxo-4-[(4-phenyl-1,3-thiazol-2-yl)amino]butanoic acid
CID 804919
(E)-1-[(4-phenyl-1,3-thiazol-2-yl)amino]-3-sulfanylprop-1-en-1-ol
CID 137332114
1-phenyl-3-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]urea
CID 4274968
methyl 4-oxo-4-[(4-phenyl-1,3-thiazol-2-yl)amino]but-2-enoate
CID 3949957
[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)phenyl]thiourea
CID 169358392
2-amino-N-(4-phenyl-1,3-thiazol-2-yl)butanamide
CID 139386677

Frequently Asked Questions

What is the IUPAC name of (4-phenyl-1,3-thiazol-2-yl)thiourea?
The IUPAC name of (4-phenyl-1,3-thiazol-2-yl)thiourea (CID 799782) is (4-phenyl-1,3-thiazol-2-yl)thiourea.
What is the SMILES notation for (4-phenyl-1,3-thiazol-2-yl)thiourea?
The canonical SMILES for (4-phenyl-1,3-thiazol-2-yl)thiourea is NC(=S)Nc1nc(-c2ccccc2)cs1.
What is the InChIKey of (4-phenyl-1,3-thiazol-2-yl)thiourea?
The InChIKey is UCIPRGBBFKCVEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3S2/c11-9(14)13-10-12-8(6-15-10)7-4-2-1-3-5-7/h1-6H,(H3,11,12,13,14).
What are the key properties of (4-phenyl-1,3-thiazol-2-yl)thiourea?
(4-phenyl-1,3-thiazol-2-yl)thiourea has a molecular weight of 235.34 g/mol, XLogP of 2.47, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenyl-1,3-thiazol-2-yl)thiourea is sourced from PubChem (CID 799782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).