1-[2-[3-fluoro-4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]-3-[(3S)-piperidin-3-yl]urea

C16H16F4N4OS — CID 146347034

IUPAC1-[2-[3-fluoro-4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]-3-[(3S)-piperidin-3-yl]urea
SMILESO=C(Nc1csc(-c2ccc(C(F)(F)F)c(F)c2)n1)N[C@H]1CCCNC1
InChIInChI=1S/C16H16F4N4OS/c17-12-6-9(3-4-11(12)16(18,19)20)14-23-13(8-26-14)24-15(25)22-10-2-1-5-21-7-10/h3-4,6,8,10,21H,1-2,5,7H2,(H2,22,24,25)/t10-/m0/s1
InChIKeyBYFYVLFMMBOXSM-JTQLQIEISA-N
MW388.39 g/mol
LogP3.84
Rot. Bonds3

About 1-[2-[3-fluoro-4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]-3-[(3S)-piperidin-3-yl]urea

1-[2-[3-fluoro-4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]-3-[(3S)-piperidin-3-yl]urea (PubChem CID 146347034) has the molecular formula C16H16F4N4OS and a molecular weight of 388.39 g/mol. Its IUPAC name is 1-[2-[3-fluoro-4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]-3-[(3S)-piperidin-3-yl]urea.

Molecular Properties

Compound Name1-[2-[3-fluoro-4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]-3-[(3S)-piperidin-3-yl]urea
PubChem CID146347034
Molecular FormulaC16H16F4N4OS
Molecular Weight388.39 g/mol
Exact Mass388.10
IUPAC Name1-[2-[3-fluoro-4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]-3-[(3S)-piperidin-3-yl]urea
SMILESO=C(Nc1csc(-c2ccc(C(F)(F)F)c(F)c2)n1)N[C@H]1CCCNC1
InChIInChI=1S/C16H16F4N4OS/c17-12-6-9(3-4-11(12)16(18,19)20)14-23-13(8-26-14)24-15(25)22-10-2-1-5-21-7-10/h3-4,6,8,10,21H,1-2,5,7H2,(H2,22,24,25)/t10-/m0/s1
InChIKeyBYFYVLFMMBOXSM-JTQLQIEISA-N
XLogP3.84
TPSA66.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.39
LogP ≤ 53.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[2-[3-fluoro-4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]-3-[(3S)-piperidin-3-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-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]ethyl]piperidine-1-carboxamide
CID 118524279
N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]piperidine-1-carboxamide
CID 118524281
N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]piperidine-1-carboxamide
CID 118524282
N-[2-[2-(2,4-difluorophenyl)-1,3-thiazol-4-yl]ethyl]piperidine-1-carboxamide
CID 118524284
N-cyclohexyl-4-(4-phenyl-1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 1447362
N-[2-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]ethyl]piperidine-1-carboxamide
CID 127047283
N-[2-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]ethyl]piperidine-1-carboxamide
CID 127047284
3-fluoro-N-[2-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]ethyl]piperidine-1-carboxamide
CID 137631645
3,3-difluoro-N-[2-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]ethyl]piperidine-1-carboxamide
CID 137641999
4-fluoro-N-[2-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]ethyl]piperidine-1-carboxamide
CID 137643193
4,4-difluoro-N-[2-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]ethyl]piperidine-1-carboxamide
CID 137658469
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-piperidin-1-ylacetamide
CID 8646929

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-fluoro-4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]-3-[(3S)-piperidin-3-yl]urea?
The IUPAC name of 1-[2-[3-fluoro-4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]-3-[(3S)-piperidin-3-yl]urea (CID 146347034) is 1-[2-[3-fluoro-4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]-3-[(3S)-piperidin-3-yl]urea.
What is the SMILES notation for 1-[2-[3-fluoro-4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]-3-[(3S)-piperidin-3-yl]urea?
The canonical SMILES for 1-[2-[3-fluoro-4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]-3-[(3S)-piperidin-3-yl]urea is O=C(Nc1csc(-c2ccc(C(F)(F)F)c(F)c2)n1)N[C@H]1CCCNC1.
What is the InChIKey of 1-[2-[3-fluoro-4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]-3-[(3S)-piperidin-3-yl]urea?
The InChIKey is BYFYVLFMMBOXSM-JTQLQIEISA-N. The full InChI is InChI=1S/C16H16F4N4OS/c17-12-6-9(3-4-11(12)16(18,19)20)14-23-13(8-26-14)24-15(25)22-10-2-1-5-21-7-10/h3-4,6,8,10,21H,1-2,5,7H2,(H2,22,24,25)/t10-/m0/s1.
What are the key properties of 1-[2-[3-fluoro-4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]-3-[(3S)-piperidin-3-yl]urea?
1-[2-[3-fluoro-4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]-3-[(3S)-piperidin-3-yl]urea has a molecular weight of 388.39 g/mol, XLogP of 3.84, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-fluoro-4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]-3-[(3S)-piperidin-3-yl]urea is sourced from PubChem (CID 146347034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).