1-benzhydryl-3-(4,5-dihydro-1,3-thiazol-2-yl)urea

C17H17N3OS — CID 2356372

IUPAC1-benzhydryl-3-(4,5-dihydro-1,3-thiazol-2-yl)urea
SMILESO=C(NC1=NCCS1)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H17N3OS/c21-16(20-17-18-11-12-22-17)19-15(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15H,11-12H2,(H2,18,19,20,21)
InChIKeySFLGEUKHVZFWRA-UHFFFAOYSA-N
MW311.41 g/mol
LogP3.18
Rot. Bonds3

About 1-benzhydryl-3-(4,5-dihydro-1,3-thiazol-2-yl)urea

1-benzhydryl-3-(4,5-dihydro-1,3-thiazol-2-yl)urea (PubChem CID 2356372) has the molecular formula C17H17N3OS and a molecular weight of 311.41 g/mol. Its IUPAC name is 1-benzhydryl-3-(4,5-dihydro-1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-benzhydryl-3-(4,5-dihydro-1,3-thiazol-2-yl)urea
PubChem CID2356372
Molecular FormulaC17H17N3OS
Molecular Weight311.41 g/mol
Exact Mass311.11
IUPAC Name1-benzhydryl-3-(4,5-dihydro-1,3-thiazol-2-yl)urea
SMILESO=C(NC1=NCCS1)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H17N3OS/c21-16(20-17-18-11-12-22-17)19-15(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15H,11-12H2,(H2,18,19,20,21)
InChIKeySFLGEUKHVZFWRA-UHFFFAOYSA-N
XLogP3.18
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-benzhydryl-3-(4,5-dihydro-1,3-thiazol-2-yl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-benzhydryl-2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)acetamide
CID 2340303
2-{[6-amino-4-oxo-1-(2-phenylethyl)-1,4-dihydropyrimidin-2-yl]sulfanyl}-N-(1-phenylethyl)acetamide
CID 3511427
N-benzhydryl-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetamide
CID 2340300
2-[(4-benzyl-5-benzylimino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(cyclohexylcarbamoyl)acetamide
CID 4966431
2-Benzyl-5-(benzylamino)-1,2,4-thiadiazol-3-one
CID 44452662
1-[(1R)-1-phenylethyl]-3-[N'-(3-phenylpropyl)carbamimidoyl]urea
CID 164619843
2-(cyclohexylmethylsulfanyl)-4,5-diphenyl-4,5-dihydro-1H-imidazole
CID 171348321
1-Benzyl-3-(3-methylsulfanylpropyl)-1-(2-phenylethyl)urea
CID 172438430
(2E)-3-benzyl-2-[(1-phenylpropan-2-yl)imino]-1,3-thiazolidin-4-one
CID 3116435
3-benzyl-6-benzylsulfanyl-2,4-dihydro-1H-1,3,5-triazine chloride
CID 45108833
N-benzhydryl-(S)-3-(methylthio)-1-pyrrolidinecarboxamide
CID 99873472
N-[2-(3,5-dimethylphenyl)-1-(2-fluoro-5-methylphenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 59223268

Frequently Asked Questions

What is the IUPAC name of 1-benzhydryl-3-(4,5-dihydro-1,3-thiazol-2-yl)urea?
The IUPAC name of 1-benzhydryl-3-(4,5-dihydro-1,3-thiazol-2-yl)urea (CID 2356372) is 1-benzhydryl-3-(4,5-dihydro-1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-benzhydryl-3-(4,5-dihydro-1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-benzhydryl-3-(4,5-dihydro-1,3-thiazol-2-yl)urea is O=C(NC1=NCCS1)NC(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-benzhydryl-3-(4,5-dihydro-1,3-thiazol-2-yl)urea?
The InChIKey is SFLGEUKHVZFWRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3OS/c21-16(20-17-18-11-12-22-17)19-15(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15H,11-12H2,(H2,18,19,20,21).
What are the key properties of 1-benzhydryl-3-(4,5-dihydro-1,3-thiazol-2-yl)urea?
1-benzhydryl-3-(4,5-dihydro-1,3-thiazol-2-yl)urea has a molecular weight of 311.41 g/mol, XLogP of 3.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzhydryl-3-(4,5-dihydro-1,3-thiazol-2-yl)urea is sourced from PubChem (CID 2356372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).