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

C16H20Cl2FN3OS — CID 119461121

IUPAC2-(4-fluorophenyl)-N-(piperidin-3-ylmethyl)-1,3-thiazole-4-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NCC1CCCNC1)c1csc(-c2ccc(F)cc2)n1
InChIInChI=1S/C16H18FN3OS.2ClH/c17-13-5-3-12(4-6-13)16-20-14(10-22-16)15(21)19-9-11-2-1-7-18-8-11;;/h3-6,10-11,18H,1-2,7-9H2,(H,19,21);2*1H
InChIKeySDHOILVIYQOOMW-UHFFFAOYSA-N
MW392.33 g/mol
LogP3.52
Rot. Bonds4

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

2-(4-fluorophenyl)-N-(piperidin-3-ylmethyl)-1,3-thiazole-4-carboxamide;dihydrochloride (PubChem CID 119461121) has the molecular formula C16H20Cl2FN3OS and a molecular weight of 392.33 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-(piperidin-3-ylmethyl)-1,3-thiazole-4-carboxamide;dihydrochloride.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-(piperidin-3-ylmethyl)-1,3-thiazole-4-carboxamide;dihydrochloride
PubChem CID119461121
Molecular FormulaC16H20Cl2FN3OS
Molecular Weight392.33 g/mol
Exact Mass391.07
IUPAC Name2-(4-fluorophenyl)-N-(piperidin-3-ylmethyl)-1,3-thiazole-4-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NCC1CCCNC1)c1csc(-c2ccc(F)cc2)n1
InChIInChI=1S/C16H18FN3OS.2ClH/c17-13-5-3-12(4-6-13)16-20-14(10-22-16)15(21)19-9-11-2-1-7-18-8-11;;/h3-6,10-11,18H,1-2,7-9H2,(H,19,21);2*1H
InChIKeySDHOILVIYQOOMW-UHFFFAOYSA-N
XLogP3.52
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.33
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-fluorophenyl)-N-(2-piperidin-3-ylethyl)-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119556217
2-(2,6-difluorophenyl)-N-[[(3S)-piperidin-3-yl]methyl]-1,3-thiazole-4-carboxamide
CID 167772025
2-(furan-3-yl)-N-(piperidin-3-ylmethyl)-1,3-thiazole-4-carboxamide
CID 119464645
2-(2,6-dichlorophenyl)-N-(piperidin-3-ylmethyl)-1,3-thiazole-4-carboxamide
CID 166358028
4-fluoro-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119462898
2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-(piperidin-3-ylmethyl)acetamide
CID 119459858
2-(N-methylanilino)-N-[[(3S)-piperidin-3-yl]methyl]-1,3-thiazole-4-carboxamide
CID 11290447
N-(piperidin-3-ylmethyl)-2-pyridin-4-yl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119460276
2-(4-fluorophenyl)-N-(3-hydroxypropyl)-1,3-thiazole-4-carboxamide
CID 78854756
2-(4-ethoxyphenyl)-N-piperidin-3-yl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119424460
2-(2-chlorophenyl)-N-(2-piperidin-3-ylethyl)-1,3-thiazole-4-carboxamide
CID 119556621
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-phenyl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120947898

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-(piperidin-3-ylmethyl)-1,3-thiazole-4-carboxamide;dihydrochloride?
The IUPAC name of 2-(4-fluorophenyl)-N-(piperidin-3-ylmethyl)-1,3-thiazole-4-carboxamide;dihydrochloride (CID 119461121) is 2-(4-fluorophenyl)-N-(piperidin-3-ylmethyl)-1,3-thiazole-4-carboxamide;dihydrochloride.
What is the SMILES notation for 2-(4-fluorophenyl)-N-(piperidin-3-ylmethyl)-1,3-thiazole-4-carboxamide;dihydrochloride?
The canonical SMILES for 2-(4-fluorophenyl)-N-(piperidin-3-ylmethyl)-1,3-thiazole-4-carboxamide;dihydrochloride is Cl.Cl.O=C(NCC1CCCNC1)c1csc(-c2ccc(F)cc2)n1.
What is the InChIKey of 2-(4-fluorophenyl)-N-(piperidin-3-ylmethyl)-1,3-thiazole-4-carboxamide;dihydrochloride?
The InChIKey is SDHOILVIYQOOMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3OS.2ClH/c17-13-5-3-12(4-6-13)16-20-14(10-22-16)15(21)19-9-11-2-1-7-18-8-11;;/h3-6,10-11,18H,1-2,7-9H2,(H,19,21);2*1H.
What are the key properties of 2-(4-fluorophenyl)-N-(piperidin-3-ylmethyl)-1,3-thiazole-4-carboxamide;dihydrochloride?
2-(4-fluorophenyl)-N-(piperidin-3-ylmethyl)-1,3-thiazole-4-carboxamide;dihydrochloride has a molecular weight of 392.33 g/mol, XLogP of 3.52, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-(piperidin-3-ylmethyl)-1,3-thiazole-4-carboxamide;dihydrochloride is sourced from PubChem (CID 119461121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).