2-[(2-fluorophenyl)methyl]-N-(2-methylpiperidin-3-yl)-1,3-thiazole-4-carboxamide;dihydrochloride

C17H22Cl2FN3OS — CID 120576827

IUPAC2-[(2-fluorophenyl)methyl]-N-(2-methylpiperidin-3-yl)-1,3-thiazole-4-carboxamide;dihydrochloride
SMILESCC1NCCCC1NC(=O)c1csc(Cc2ccccc2F)n1.Cl.Cl
InChIInChI=1S/C17H20FN3OS.2ClH/c1-11-14(7-4-8-19-11)21-17(22)15-10-23-16(20-15)9-12-5-2-3-6-13(12)18;;/h2-3,5-6,10-11,14,19H,4,7-9H2,1H3,(H,21,22);2*1H
InChIKeyDXPOKEPOEVOILK-UHFFFAOYSA-N
MW406.35 g/mol
LogP3.59
Rot. Bonds4

About 2-[(2-fluorophenyl)methyl]-N-(2-methylpiperidin-3-yl)-1,3-thiazole-4-carboxamide;dihydrochloride

2-[(2-fluorophenyl)methyl]-N-(2-methylpiperidin-3-yl)-1,3-thiazole-4-carboxamide;dihydrochloride (PubChem CID 120576827) has the molecular formula C17H22Cl2FN3OS and a molecular weight of 406.35 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)methyl]-N-(2-methylpiperidin-3-yl)-1,3-thiazole-4-carboxamide;dihydrochloride.

Molecular Properties

Compound Name2-[(2-fluorophenyl)methyl]-N-(2-methylpiperidin-3-yl)-1,3-thiazole-4-carboxamide;dihydrochloride
PubChem CID120576827
Molecular FormulaC17H22Cl2FN3OS
Molecular Weight406.35 g/mol
Exact Mass405.08
IUPAC Name2-[(2-fluorophenyl)methyl]-N-(2-methylpiperidin-3-yl)-1,3-thiazole-4-carboxamide;dihydrochloride
SMILESCC1NCCCC1NC(=O)c1csc(Cc2ccccc2F)n1.Cl.Cl
InChIInChI=1S/C17H20FN3OS.2ClH/c1-11-14(7-4-8-19-11)21-17(22)15-10-23-16(20-15)9-12-5-2-3-6-13(12)18;;/h2-3,5-6,10-11,14,19H,4,7-9H2,1H3,(H,21,22);2*1H
InChIKeyDXPOKEPOEVOILK-UHFFFAOYSA-N
XLogP3.59
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.35
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(aminomethyl)cyclopentyl]-2-[(2-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide
CID 119600962
(2,3-dimethylpiperazin-1-yl)-[2-[(2-fluorophenyl)methyl]-1,3-thiazol-4-yl]methanone;dihydrochloride
CID 120572291
4-(2-fluorophenyl)-2-methyl-N-(2-methylpiperidin-3-yl)butanamide;hydrochloride
CID 120576912
2-benzyl-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride
CID 120573776
3-ethyl-N-(2-methylpiperidin-3-yl)thiophene-2-carboxamide;hydrochloride
CID 120575332
2-(2,3-difluorophenyl)-N-[(2S,3R)-2-methylpiperidin-3-yl]acetamide
CID 124517154
2-benzyl-N-(2-methylpiperidin-3-yl)benzamide
CID 120573777
2-(5-chlorothiophen-2-yl)-N-(2-methylpiperidin-3-yl)-1,3-thiazole-4-carboxamide
CID 120574509
2-(4-ethoxyphenyl)-N-(2-methylpiperidin-3-yl)-1,3-thiazole-4-carboxamide
CID 120576844
2-[(2-fluorophenyl)methyl]-N-[(3-hydroxycyclohexyl)methyl]-1,3-thiazole-4-carboxamide
CID 111460007
2-(4-fluorobenzoyl)-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride
CID 120575467
N-(2-methylpiperidin-3-yl)-2-phenylacetamide;hydrochloride
CID 120574528

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)methyl]-N-(2-methylpiperidin-3-yl)-1,3-thiazole-4-carboxamide;dihydrochloride?
The IUPAC name of 2-[(2-fluorophenyl)methyl]-N-(2-methylpiperidin-3-yl)-1,3-thiazole-4-carboxamide;dihydrochloride (CID 120576827) is 2-[(2-fluorophenyl)methyl]-N-(2-methylpiperidin-3-yl)-1,3-thiazole-4-carboxamide;dihydrochloride.
What is the SMILES notation for 2-[(2-fluorophenyl)methyl]-N-(2-methylpiperidin-3-yl)-1,3-thiazole-4-carboxamide;dihydrochloride?
The canonical SMILES for 2-[(2-fluorophenyl)methyl]-N-(2-methylpiperidin-3-yl)-1,3-thiazole-4-carboxamide;dihydrochloride is CC1NCCCC1NC(=O)c1csc(Cc2ccccc2F)n1.Cl.Cl.
What is the InChIKey of 2-[(2-fluorophenyl)methyl]-N-(2-methylpiperidin-3-yl)-1,3-thiazole-4-carboxamide;dihydrochloride?
The InChIKey is DXPOKEPOEVOILK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3OS.2ClH/c1-11-14(7-4-8-19-11)21-17(22)15-10-23-16(20-15)9-12-5-2-3-6-13(12)18;;/h2-3,5-6,10-11,14,19H,4,7-9H2,1H3,(H,21,22);2*1H.
What are the key properties of 2-[(2-fluorophenyl)methyl]-N-(2-methylpiperidin-3-yl)-1,3-thiazole-4-carboxamide;dihydrochloride?
2-[(2-fluorophenyl)methyl]-N-(2-methylpiperidin-3-yl)-1,3-thiazole-4-carboxamide;dihydrochloride has a molecular weight of 406.35 g/mol, XLogP of 3.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)methyl]-N-(2-methylpiperidin-3-yl)-1,3-thiazole-4-carboxamide;dihydrochloride is sourced from PubChem (CID 120576827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).