1-(3-chloro-4-fluorophenyl)-3-[1-(1,3-thiazol-2-yl)piperidin-3-yl]urea

C15H16ClFN4OS — CID 134359721

IUPAC1-(3-chloro-4-fluorophenyl)-3-[1-(1,3-thiazol-2-yl)piperidin-3-yl]urea
SMILESO=C(Nc1ccc(F)c(Cl)c1)NC1CCCN(c2nccs2)C1
InChIInChI=1S/C15H16ClFN4OS/c16-12-8-10(3-4-13(12)17)19-14(22)20-11-2-1-6-21(9-11)15-18-5-7-23-15/h3-5,7-8,11H,1-2,6,9H2,(H2,19,20,22)
InChIKeyCUCDCJDUGYEUFW-UHFFFAOYSA-N
MW354.84 g/mol
LogP3.73
Rot. Bonds3

About 1-(3-chloro-4-fluorophenyl)-3-[1-(1,3-thiazol-2-yl)piperidin-3-yl]urea

1-(3-chloro-4-fluorophenyl)-3-[1-(1,3-thiazol-2-yl)piperidin-3-yl]urea (PubChem CID 134359721) has the molecular formula C15H16ClFN4OS and a molecular weight of 354.84 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)-3-[1-(1,3-thiazol-2-yl)piperidin-3-yl]urea.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)-3-[1-(1,3-thiazol-2-yl)piperidin-3-yl]urea
PubChem CID134359721
Molecular FormulaC15H16ClFN4OS
Molecular Weight354.84 g/mol
Exact Mass354.07
IUPAC Name1-(3-chloro-4-fluorophenyl)-3-[1-(1,3-thiazol-2-yl)piperidin-3-yl]urea
SMILESO=C(Nc1ccc(F)c(Cl)c1)NC1CCCN(c2nccs2)C1
InChIInChI=1S/C15H16ClFN4OS/c16-12-8-10(3-4-13(12)17)19-14(22)20-11-2-1-6-21(9-11)15-18-5-7-23-15/h3-5,7-8,11H,1-2,6,9H2,(H2,19,20,22)
InChIKeyCUCDCJDUGYEUFW-UHFFFAOYSA-N
XLogP3.73
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.84
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(3-chloro-4-fluorophenyl)-3-[1-(1,3-thiazol-2-yl)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

1-(3-chloro-4-fluorophenyl)-3-[(3S)-1-(3,5-dichloro-4-pyridinyl)piperidin-3-yl]urea
CID 134359756
1-(4-chlorophenyl)-3-[1-(1,3-thiazol-2-yl)piperidin-4-yl]urea
CID 90597446
1-phenyl-3-[(3R)-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]urea
CID 99875460
4-chloro-N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]benzamide
CID 121144583
1-(1,3-benzodioxol-5-yl)-3-[1-(1,3-thiazol-2-yl)piperidin-4-yl]urea
CID 90597467
1-(3-chloro-4-fluorophenyl)-3-(1-methylsulfonylpiperidin-4-yl)urea
CID 110706232
1-(3,4-dichlorophenyl)-3-(1-ethylpiperidin-3-yl)urea
CID 47349344
1-(4-chlorophenyl)-3-(1-pyridin-2-ylpyrrolidin-3-yl)urea
CID 90621421
1,5-dimethyl-N-[1-(1,3-thiazol-2-yl)piperidin-3-yl]pyrazole-3-carboxamide
CID 172899582
N-[4-fluoro-3-[[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]carbamoylamino]phenyl]propanamide
CID 97438128
1-propyl-3-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]urea
CID 121144831
(3R)-1-(1,3-thiazol-2-yl)piperidine-3-carboxylic acid
CID 30072707

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)-3-[1-(1,3-thiazol-2-yl)piperidin-3-yl]urea?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)-3-[1-(1,3-thiazol-2-yl)piperidin-3-yl]urea (CID 134359721) is 1-(3-chloro-4-fluorophenyl)-3-[1-(1,3-thiazol-2-yl)piperidin-3-yl]urea.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)-3-[1-(1,3-thiazol-2-yl)piperidin-3-yl]urea?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)-3-[1-(1,3-thiazol-2-yl)piperidin-3-yl]urea is O=C(Nc1ccc(F)c(Cl)c1)NC1CCCN(c2nccs2)C1.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)-3-[1-(1,3-thiazol-2-yl)piperidin-3-yl]urea?
The InChIKey is CUCDCJDUGYEUFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClFN4OS/c16-12-8-10(3-4-13(12)17)19-14(22)20-11-2-1-6-21(9-11)15-18-5-7-23-15/h3-5,7-8,11H,1-2,6,9H2,(H2,19,20,22).
What are the key properties of 1-(3-chloro-4-fluorophenyl)-3-[1-(1,3-thiazol-2-yl)piperidin-3-yl]urea?
1-(3-chloro-4-fluorophenyl)-3-[1-(1,3-thiazol-2-yl)piperidin-3-yl]urea has a molecular weight of 354.84 g/mol, XLogP of 3.73, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorophenyl)-3-[1-(1,3-thiazol-2-yl)piperidin-3-yl]urea is sourced from PubChem (CID 134359721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).