4-(4-fluorophenyl)-5-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)thiophene-2-carboxamide;hydrochloride

C20H23ClFN5OS — CID 120643297

IUPAC4-(4-fluorophenyl)-5-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)thiophene-2-carboxamide;hydrochloride
SMILESCc1sc(C(=O)Nc2nc(C3CCNCC3)nn2C)cc1-c1ccc(F)cc1.Cl
InChIInChI=1S/C20H22FN5OS.ClH/c1-12-16(13-3-5-15(21)6-4-13)11-17(28-12)19(27)24-20-23-18(25-26(20)2)14-7-9-22-10-8-14;/h3-6,11,14,22H,7-10H2,1-2H3,(H,23,24,25,27);1H
InChIKeyOBPSKMMFADPDRG-UHFFFAOYSA-N
MW435.96 g/mol
LogP4.13
Rot. Bonds4

About 4-(4-fluorophenyl)-5-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)thiophene-2-carboxamide;hydrochloride

4-(4-fluorophenyl)-5-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)thiophene-2-carboxamide;hydrochloride (PubChem CID 120643297) has the molecular formula C20H23ClFN5OS and a molecular weight of 435.96 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-5-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)thiophene-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-(4-fluorophenyl)-5-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)thiophene-2-carboxamide;hydrochloride
PubChem CID120643297
Molecular FormulaC20H23ClFN5OS
Molecular Weight435.96 g/mol
Exact Mass435.13
IUPAC Name4-(4-fluorophenyl)-5-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)thiophene-2-carboxamide;hydrochloride
SMILESCc1sc(C(=O)Nc2nc(C3CCNCC3)nn2C)cc1-c1ccc(F)cc1.Cl
InChIInChI=1S/C20H22FN5OS.ClH/c1-12-16(13-3-5-15(21)6-4-13)11-17(28-12)19(27)24-20-23-18(25-26(20)2)14-7-9-22-10-8-14;/h3-6,11,14,22H,7-10H2,1-2H3,(H,23,24,25,27);1H
InChIKeyOBPSKMMFADPDRG-UHFFFAOYSA-N
XLogP4.13
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.96
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-(4-fluorophenyl)-5-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)thiophene-2-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

5-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)thiophene-2-carboxamide
CID 120642784
1,3-dimethyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)thieno[3,2-d]pyrazole-5-carboxamide
CID 120644383
2-fluoro-4-(4-methylphenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)benzamide
CID 120644678
1-(4-fluorophenyl)-5-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)pyrazole-3-carboxamide
CID 120643324
3-chloro-4-fluoro-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)benzamide;hydrochloride
CID 120643990
N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-5-nitrothiophene-2-carboxamide;hydrochloride
CID 120644378
4-(4-fluorophenyl)-5-methyl-N-pyrrolidin-3-ylthiophene-2-carboxamide;hydrochloride
CID 119454424
3-(2,6-difluorophenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)benzamide
CID 120643486
3,4-dimethyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)benzamide;hydrochloride
CID 120642680
2-(4-methoxyphenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-1,3-thiazole-5-carboxamide
CID 120642480
N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)thieno[3,2-b][1]benzothiole-2-carboxamide
CID 120642347
2,3-difluoro-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)benzamide;hydrochloride
CID 120643936

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-5-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)thiophene-2-carboxamide;hydrochloride?
The IUPAC name of 4-(4-fluorophenyl)-5-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)thiophene-2-carboxamide;hydrochloride (CID 120643297) is 4-(4-fluorophenyl)-5-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)thiophene-2-carboxamide;hydrochloride.
What is the SMILES notation for 4-(4-fluorophenyl)-5-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)thiophene-2-carboxamide;hydrochloride?
The canonical SMILES for 4-(4-fluorophenyl)-5-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)thiophene-2-carboxamide;hydrochloride is Cc1sc(C(=O)Nc2nc(C3CCNCC3)nn2C)cc1-c1ccc(F)cc1.Cl.
What is the InChIKey of 4-(4-fluorophenyl)-5-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)thiophene-2-carboxamide;hydrochloride?
The InChIKey is OBPSKMMFADPDRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN5OS.ClH/c1-12-16(13-3-5-15(21)6-4-13)11-17(28-12)19(27)24-20-23-18(25-26(20)2)14-7-9-22-10-8-14;/h3-6,11,14,22H,7-10H2,1-2H3,(H,23,24,25,27);1H.
What are the key properties of 4-(4-fluorophenyl)-5-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)thiophene-2-carboxamide;hydrochloride?
4-(4-fluorophenyl)-5-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)thiophene-2-carboxamide;hydrochloride has a molecular weight of 435.96 g/mol, XLogP of 4.13, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-5-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)thiophene-2-carboxamide;hydrochloride is sourced from PubChem (CID 120643297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).