2-(4-fluorophenyl)-N-(2-piperidin-3-ylethyl)-1,3-thiazole-4-carboxamide;dihydrochloride

C17H22Cl2FN3OS — CID 119556217

IUPAC2-(4-fluorophenyl)-N-(2-piperidin-3-ylethyl)-1,3-thiazole-4-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NCCC1CCCNC1)c1csc(-c2ccc(F)cc2)n1
InChIInChI=1S/C17H20FN3OS.2ClH/c18-14-5-3-13(4-6-14)17-21-15(11-23-17)16(22)20-9-7-12-2-1-8-19-10-12;;/h3-6,11-12,19H,1-2,7-10H2,(H,20,22);2*1H
InChIKeyHXNLEMSDSJFDGQ-UHFFFAOYSA-N
MW406.35 g/mol
LogP3.91
Rot. Bonds5

About 2-(4-fluorophenyl)-N-(2-piperidin-3-ylethyl)-1,3-thiazole-4-carboxamide;dihydrochloride

2-(4-fluorophenyl)-N-(2-piperidin-3-ylethyl)-1,3-thiazole-4-carboxamide;dihydrochloride (PubChem CID 119556217) has the molecular formula C17H22Cl2FN3OS and a molecular weight of 406.35 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-(2-piperidin-3-ylethyl)-1,3-thiazole-4-carboxamide;dihydrochloride.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-(2-piperidin-3-ylethyl)-1,3-thiazole-4-carboxamide;dihydrochloride
PubChem CID119556217
Molecular FormulaC17H22Cl2FN3OS
Molecular Weight406.35 g/mol
Exact Mass405.08
IUPAC Name2-(4-fluorophenyl)-N-(2-piperidin-3-ylethyl)-1,3-thiazole-4-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NCCC1CCCNC1)c1csc(-c2ccc(F)cc2)n1
InChIInChI=1S/C17H20FN3OS.2ClH/c18-14-5-3-13(4-6-14)17-21-15(11-23-17)16(22)20-9-7-12-2-1-8-19-10-12;;/h3-6,11-12,19H,1-2,7-10H2,(H,20,22);2*1H
InChIKeyHXNLEMSDSJFDGQ-UHFFFAOYSA-N
XLogP3.91
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.35
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-fluorophenyl)-N-(piperidin-3-ylmethyl)-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119461121
2-(2-chlorophenyl)-N-(2-piperidin-3-ylethyl)-1,3-thiazole-4-carboxamide
CID 119556621
2-(5-chlorothiophen-2-yl)-N-(2-piperidin-3-ylethyl)-1,3-thiazole-4-carboxamide
CID 119558785
2-(furan-3-yl)-N-(2-pyrrolidin-3-ylethyl)-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119538180
N-(2-pyrrolidin-3-ylethyl)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119537157
2-(2,6-difluorophenyl)-N-[[(3S)-piperidin-3-yl]methyl]-1,3-thiazole-4-carboxamide
CID 167772025
2-(4-fluorophenyl)-N-(2-piperidin-3-ylethyl)acetamide
CID 60894094
2-(4-fluorophenyl)-N-(3-hydroxypropyl)-1,3-thiazole-4-carboxamide
CID 78854756
2-(1-phenylpyrazol-4-yl)-N-(2-pyrrolidin-3-ylethyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119537526
2-(furan-3-yl)-N-(piperidin-3-ylmethyl)-1,3-thiazole-4-carboxamide
CID 119464645
N-(2-piperidin-3-ylethyl)-1,2-oxazole-3-carboxamide
CID 63627853
4-(4-fluorophenyl)-5-methyl-N-(2-piperidin-3-ylethyl)thiophene-2-carboxamide;hydrochloride
CID 119559585

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-(2-piperidin-3-ylethyl)-1,3-thiazole-4-carboxamide;dihydrochloride?
The IUPAC name of 2-(4-fluorophenyl)-N-(2-piperidin-3-ylethyl)-1,3-thiazole-4-carboxamide;dihydrochloride (CID 119556217) is 2-(4-fluorophenyl)-N-(2-piperidin-3-ylethyl)-1,3-thiazole-4-carboxamide;dihydrochloride.
What is the SMILES notation for 2-(4-fluorophenyl)-N-(2-piperidin-3-ylethyl)-1,3-thiazole-4-carboxamide;dihydrochloride?
The canonical SMILES for 2-(4-fluorophenyl)-N-(2-piperidin-3-ylethyl)-1,3-thiazole-4-carboxamide;dihydrochloride is Cl.Cl.O=C(NCCC1CCCNC1)c1csc(-c2ccc(F)cc2)n1.
What is the InChIKey of 2-(4-fluorophenyl)-N-(2-piperidin-3-ylethyl)-1,3-thiazole-4-carboxamide;dihydrochloride?
The InChIKey is HXNLEMSDSJFDGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3OS.2ClH/c18-14-5-3-13(4-6-14)17-21-15(11-23-17)16(22)20-9-7-12-2-1-8-19-10-12;;/h3-6,11-12,19H,1-2,7-10H2,(H,20,22);2*1H.
What are the key properties of 2-(4-fluorophenyl)-N-(2-piperidin-3-ylethyl)-1,3-thiazole-4-carboxamide;dihydrochloride?
2-(4-fluorophenyl)-N-(2-piperidin-3-ylethyl)-1,3-thiazole-4-carboxamide;dihydrochloride has a molecular weight of 406.35 g/mol, XLogP of 3.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-(2-piperidin-3-ylethyl)-1,3-thiazole-4-carboxamide;dihydrochloride is sourced from PubChem (CID 119556217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).