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

C17H16FN3OS — CID 42587045

IUPAC3-(4-fluorophenyl)-1-[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]-1-phenylurea
SMILESC[C@@H]1CN=C(N(C(=O)Nc2ccc(F)cc2)c2ccccc2)S1
InChIInChI=1S/C17H16FN3OS/c1-12-11-19-17(23-12)21(15-5-3-2-4-6-15)16(22)20-14-9-7-13(18)8-10-14/h2-10,12H,11H2,1H3,(H,20,22)/t12-/m1/s1
InChIKeyVXIHAEZSNHRDEK-GFCCVEGCSA-N
MW329.40 g/mol
LogP4.36
Rot. Bonds2

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

3-(4-fluorophenyl)-1-[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]-1-phenylurea (PubChem CID 42587045) has the molecular formula C17H16FN3OS and a molecular weight of 329.40 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-1-[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]-1-phenylurea.

Molecular Properties

Compound Name3-(4-fluorophenyl)-1-[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]-1-phenylurea
PubChem CID42587045
Molecular FormulaC17H16FN3OS
Molecular Weight329.40 g/mol
Exact Mass329.10
IUPAC Name3-(4-fluorophenyl)-1-[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]-1-phenylurea
SMILESC[C@@H]1CN=C(N(C(=O)Nc2ccc(F)cc2)c2ccccc2)S1
InChIInChI=1S/C17H16FN3OS/c1-12-11-19-17(23-12)21(15-5-3-2-4-6-15)16(22)20-14-9-7-13(18)8-10-14/h2-10,12H,11H2,1H3,(H,20,22)/t12-/m1/s1
InChIKeyVXIHAEZSNHRDEK-GFCCVEGCSA-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 3-(4-fluorophenyl)-1-[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]-1-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

1-[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]-1,3-diphenylurea
CID 40577280
1-(4-fluorophenyl)-1-[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]-3-(4-methylphenyl)urea
CID 6976914
1-[(5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]-1-(3-methylphenyl)-3-phenylurea
CID 6923880
1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-1-(3-methylphenyl)-3-phenylurea
CID 562427
1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-1,3-bis[3-(trifluoromethyl)phenyl]urea
CID 3369494
1-(3-acetylphenyl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-3-pyridin-4-ylurea
CID 5311698
1-[(5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]-1-(4-morpholin-4-ylsulfonylphenyl)-3-phenylurea
CID 2346421
3-(4-chlorophenyl)-1-(3,4-dimethylphenyl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)urea
CID 142449793
3-(4-chlorophenyl)-1-methyl-1-[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]urea
CID 7039411
1-(2,4-difluorophenyl)-1-[(5S)-5-(iodomethyl)-4,5-dihydro-1,3-thiazol-2-yl]-3-phenylurea
CID 36689519
3-(3-chlorophenyl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-1-(4-methyl-2-pyridinyl)urea
CID 2729364
N'-(4-aminophenyl)-N-(4-fluorophenyl)-N'-phenyloxamide
CID 108512592

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-1-[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]-1-phenylurea?
The IUPAC name of 3-(4-fluorophenyl)-1-[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]-1-phenylurea (CID 42587045) is 3-(4-fluorophenyl)-1-[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]-1-phenylurea.
What is the SMILES notation for 3-(4-fluorophenyl)-1-[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]-1-phenylurea?
The canonical SMILES for 3-(4-fluorophenyl)-1-[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]-1-phenylurea is C[C@@H]1CN=C(N(C(=O)Nc2ccc(F)cc2)c2ccccc2)S1.
What is the InChIKey of 3-(4-fluorophenyl)-1-[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]-1-phenylurea?
The InChIKey is VXIHAEZSNHRDEK-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H16FN3OS/c1-12-11-19-17(23-12)21(15-5-3-2-4-6-15)16(22)20-14-9-7-13(18)8-10-14/h2-10,12H,11H2,1H3,(H,20,22)/t12-/m1/s1.
What are the key properties of 3-(4-fluorophenyl)-1-[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]-1-phenylurea?
3-(4-fluorophenyl)-1-[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]-1-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 3-(4-fluorophenyl)-1-[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]-1-phenylurea is sourced from PubChem (CID 42587045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).