N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]piperidine-4-carboxamide;hydrochloride

C16H19ClFN3OS — CID 119266983

IUPACN-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]piperidine-4-carboxamide;hydrochloride
SMILESCc1sc(NC(=O)C2CCNCC2)nc1-c1ccc(F)cc1.Cl
InChIInChI=1S/C16H18FN3OS.ClH/c1-10-14(11-2-4-13(17)5-3-11)19-16(22-10)20-15(21)12-6-8-18-9-7-12;/h2-5,12,18H,6-9H2,1H3,(H,19,20,21);1H
InChIKeyMDXQRTVFMRTJBN-UHFFFAOYSA-N
MW355.87 g/mol
LogP3.62
Rot. Bonds3

About N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]piperidine-4-carboxamide;hydrochloride

N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]piperidine-4-carboxamide;hydrochloride (PubChem CID 119266983) has the molecular formula C16H19ClFN3OS and a molecular weight of 355.87 g/mol. Its IUPAC name is N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]piperidine-4-carboxamide;hydrochloride
PubChem CID119266983
Molecular FormulaC16H19ClFN3OS
Molecular Weight355.87 g/mol
Exact Mass355.09
IUPAC NameN-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]piperidine-4-carboxamide;hydrochloride
SMILESCc1sc(NC(=O)C2CCNCC2)nc1-c1ccc(F)cc1.Cl
InChIInChI=1S/C16H18FN3OS.ClH/c1-10-14(11-2-4-13(17)5-3-11)19-16(22-10)20-15(21)12-6-8-18-9-7-12;/h2-5,12,18H,6-9H2,1H3,(H,19,20,21);1H
InChIKeyMDXQRTVFMRTJBN-UHFFFAOYSA-N
XLogP3.62
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.87
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]piperidine-4-carboxamide;hydrochloride 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-(3,4-difluorophenyl)sulfonyl-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 26291637
N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119266977
N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]oxolane-2-carboxamide
CID 2970872
N-[5-methyl-4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]pyrrolidine-3-carboxamide;hydrochloride
CID 119774699
2-(cyclopropylmethylamino)-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
CID 119681458
(1S,2R,3R,4S)-3-[[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]carbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
CID 98370273
2-amino-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-methylpropanamide
CID 119266982
N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]piperidine-4-carboxamide;hydrochloride
CID 119293306
4-fluoro-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide
CID 880470
2-amino-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
CID 39177617
N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 46436053
N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 51240990

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]piperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]piperidine-4-carboxamide;hydrochloride (CID 119266983) is N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]piperidine-4-carboxamide;hydrochloride is Cc1sc(NC(=O)C2CCNCC2)nc1-c1ccc(F)cc1.Cl.
What is the InChIKey of N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]piperidine-4-carboxamide;hydrochloride?
The InChIKey is MDXQRTVFMRTJBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3OS.ClH/c1-10-14(11-2-4-13(17)5-3-11)19-16(22-10)20-15(21)12-6-8-18-9-7-12;/h2-5,12,18H,6-9H2,1H3,(H,19,20,21);1H.
What are the key properties of N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]piperidine-4-carboxamide;hydrochloride?
N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]piperidine-4-carboxamide;hydrochloride has a molecular weight of 355.87 g/mol, XLogP of 3.62, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119266983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).