N-(5-piperidin-4-yl-1,3-thiazol-2-yl)-3-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide;hydrochloride

C16H18ClF3N4O2S — CID 120998482

IUPACN-(5-piperidin-4-yl-1,3-thiazol-2-yl)-3-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ncc(C2CCNCC2)s1)c1ncccc1OCC(F)(F)F
InChIInChI=1S/C16H17F3N4O2S.ClH/c17-16(18,19)9-25-11-2-1-5-21-13(11)14(24)23-15-22-8-12(26-15)10-3-6-20-7-4-10;/h1-2,5,8,10,20H,3-4,6-7,9H2,(H,22,23,24);1H
InChIKeyPUICDJVPMOCPPH-UHFFFAOYSA-N
MW422.86 g/mol
LogP3.62
Rot. Bonds5

About N-(5-piperidin-4-yl-1,3-thiazol-2-yl)-3-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide;hydrochloride

N-(5-piperidin-4-yl-1,3-thiazol-2-yl)-3-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide;hydrochloride (PubChem CID 120998482) has the molecular formula C16H18ClF3N4O2S and a molecular weight of 422.86 g/mol. Its IUPAC name is N-(5-piperidin-4-yl-1,3-thiazol-2-yl)-3-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(5-piperidin-4-yl-1,3-thiazol-2-yl)-3-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide;hydrochloride
PubChem CID120998482
Molecular FormulaC16H18ClF3N4O2S
Molecular Weight422.86 g/mol
Exact Mass422.08
IUPAC NameN-(5-piperidin-4-yl-1,3-thiazol-2-yl)-3-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ncc(C2CCNCC2)s1)c1ncccc1OCC(F)(F)F
InChIInChI=1S/C16H17F3N4O2S.ClH/c17-16(18,19)9-25-11-2-1-5-21-13(11)14(24)23-15-22-8-12(26-15)10-3-6-20-7-4-10;/h1-2,5,8,10,20H,3-4,6-7,9H2,(H,22,23,24);1H
InChIKeyPUICDJVPMOCPPH-UHFFFAOYSA-N
XLogP3.62
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.86
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-piperidin-4-yl-1,3-thiazol-2-yl)-3-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide;hydrochloride?
The IUPAC name of N-(5-piperidin-4-yl-1,3-thiazol-2-yl)-3-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide;hydrochloride (CID 120998482) is N-(5-piperidin-4-yl-1,3-thiazol-2-yl)-3-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(5-piperidin-4-yl-1,3-thiazol-2-yl)-3-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide;hydrochloride?
The canonical SMILES for N-(5-piperidin-4-yl-1,3-thiazol-2-yl)-3-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide;hydrochloride is Cl.O=C(Nc1ncc(C2CCNCC2)s1)c1ncccc1OCC(F)(F)F.
What is the InChIKey of N-(5-piperidin-4-yl-1,3-thiazol-2-yl)-3-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide;hydrochloride?
The InChIKey is PUICDJVPMOCPPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N4O2S.ClH/c17-16(18,19)9-25-11-2-1-5-21-13(11)14(24)23-15-22-8-12(26-15)10-3-6-20-7-4-10;/h1-2,5,8,10,20H,3-4,6-7,9H2,(H,22,23,24);1H.
What are the key properties of N-(5-piperidin-4-yl-1,3-thiazol-2-yl)-3-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide;hydrochloride?
N-(5-piperidin-4-yl-1,3-thiazol-2-yl)-3-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide;hydrochloride has a molecular weight of 422.86 g/mol, XLogP of 3.62, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-piperidin-4-yl-1,3-thiazol-2-yl)-3-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide;hydrochloride is sourced from PubChem (CID 120998482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).