1-(4-fluorophenyl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-3-phenylurea

C17H16FN3OS — CID 2817471

IUPAC1-(4-fluorophenyl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-3-phenylurea
SMILESCC1CN=C(N(C(=O)Nc2ccccc2)c2ccc(F)cc2)S1
InChIInChI=1S/C17H16FN3OS/c1-12-11-19-17(23-12)21(15-9-7-13(18)8-10-15)16(22)20-14-5-3-2-4-6-14/h2-10,12H,11H2,1H3,(H,20,22)
InChIKeyILRBYLNWMLZZKG-UHFFFAOYSA-N
MW329.40 g/mol
LogP4.36
Rot. Bonds2

About 1-(4-fluorophenyl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-3-phenylurea

1-(4-fluorophenyl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-3-phenylurea (PubChem CID 2817471) has the molecular formula C17H16FN3OS and a molecular weight of 329.40 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-3-phenylurea.

Molecular Properties

Compound Name1-(4-fluorophenyl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-3-phenylurea
PubChem CID2817471
Molecular FormulaC17H16FN3OS
Molecular Weight329.40 g/mol
Exact Mass329.10
IUPAC Name1-(4-fluorophenyl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-3-phenylurea
SMILESCC1CN=C(N(C(=O)Nc2ccccc2)c2ccc(F)cc2)S1
InChIInChI=1S/C17H16FN3OS/c1-12-11-19-17(23-12)21(15-9-7-13(18)8-10-15)16(22)20-14-5-3-2-4-6-14/h2-10,12H,11H2,1H3,(H,20,22)
InChIKeyILRBYLNWMLZZKG-UHFFFAOYSA-N
XLogP4.36
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-fluorophenyl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-3-phenylurea 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-(4-Fluorophenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 610851
1-(5-Methyl-4,5-dihydro-1,3-thiazol-2-yl)-3-phenyl-1-(1-phenylethyl)urea
CID 4351752
1-Benzyl-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-3-phenylurea
CID 562408
1-(5-Methyl-4,5-dihydro-1,3-thiazol-2-yl)-1-(3-methylphenyl)-3-phenylurea
CID 562427
N,N'-Diphenyl-N'-(4,5,6,7-tetrahydro-1,3-thiazepin-2-yl)urea
CID 650974
1-(5-Methyl-4,5-dihydro-1,3-thiazol-2-yl)-1-(4-methylphenyl)-3-phenylurea
CID 657999
1-(4,5-Dihydrothiazol-2-yl)-3-phenylurea
CID 773295
1-Benzyl-1-(5,5-dimethyl-4,5-dihydro-thiazol-2-yl)-3-phenyl-urea
CID 912993
1-Benzyl-1-(4,5-dihydro-1,3-thiazol-2-yl)-3-phenylurea
CID 917499
N-(2,4-difluorophenyl)-N'-methyl-N-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)urea
CID 2970179
N-[3-methyl-1,3-thiazol-2(3H)-yliden]-N'-phenylurea
CID 6374665
N-(5,5-dimethyl-4,5-dihydro-1,3-thiazol-2-yl)-N-(2-fluorophenyl)-N'-phenylurea
CID 2817615

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-3-phenylurea?
The IUPAC name of 1-(4-fluorophenyl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-3-phenylurea (CID 2817471) is 1-(4-fluorophenyl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-3-phenylurea.
What is the SMILES notation for 1-(4-fluorophenyl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-3-phenylurea?
The canonical SMILES for 1-(4-fluorophenyl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-3-phenylurea is CC1CN=C(N(C(=O)Nc2ccccc2)c2ccc(F)cc2)S1.
What is the InChIKey of 1-(4-fluorophenyl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-3-phenylurea?
The InChIKey is ILRBYLNWMLZZKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3OS/c1-12-11-19-17(23-12)21(15-9-7-13(18)8-10-15)16(22)20-14-5-3-2-4-6-14/h2-10,12H,11H2,1H3,(H,20,22).
What are the key properties of 1-(4-fluorophenyl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-3-phenylurea?
1-(4-fluorophenyl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-3-phenylurea has a molecular weight of 329.40 g/mol, XLogP of 4.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-3-phenylurea is sourced from PubChem (CID 2817471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).