N-(1,3-thiazol-2-yl)-4-(trifluoromethyl)piperidine-1-carboxamide

C10H12F3N3OS — CID 126827174

IUPACN-(1,3-thiazol-2-yl)-4-(trifluoromethyl)piperidine-1-carboxamide
SMILESO=C(Nc1nccs1)N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C10H12F3N3OS/c11-10(12,13)7-1-4-16(5-2-7)9(17)15-8-14-3-6-18-8/h3,6-7H,1-2,4-5H2,(H,14,15,17)
InChIKeyXVIPJZBHOGBHOX-UHFFFAOYSA-N
MW279.29 g/mol
LogP2.95
Rot. Bonds1

About N-(1,3-thiazol-2-yl)-4-(trifluoromethyl)piperidine-1-carboxamide

N-(1,3-thiazol-2-yl)-4-(trifluoromethyl)piperidine-1-carboxamide (PubChem CID 126827174) has the molecular formula C10H12F3N3OS and a molecular weight of 279.29 g/mol. Its IUPAC name is N-(1,3-thiazol-2-yl)-4-(trifluoromethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(1,3-thiazol-2-yl)-4-(trifluoromethyl)piperidine-1-carboxamide
PubChem CID126827174
Molecular FormulaC10H12F3N3OS
Molecular Weight279.29 g/mol
Exact Mass279.07
IUPAC NameN-(1,3-thiazol-2-yl)-4-(trifluoromethyl)piperidine-1-carboxamide
SMILESO=C(Nc1nccs1)N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C10H12F3N3OS/c11-10(12,13)7-1-4-16(5-2-7)9(17)15-8-14-3-6-18-8/h3,6-7H,1-2,4-5H2,(H,14,15,17)
InChIKeyXVIPJZBHOGBHOX-UHFFFAOYSA-N
XLogP2.95
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-thiazol-2-yl)-4-(trifluoromethyl)piperidine-1-carboxamide?
The IUPAC name of N-(1,3-thiazol-2-yl)-4-(trifluoromethyl)piperidine-1-carboxamide (CID 126827174) is N-(1,3-thiazol-2-yl)-4-(trifluoromethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-(1,3-thiazol-2-yl)-4-(trifluoromethyl)piperidine-1-carboxamide?
The canonical SMILES for N-(1,3-thiazol-2-yl)-4-(trifluoromethyl)piperidine-1-carboxamide is O=C(Nc1nccs1)N1CCC(C(F)(F)F)CC1.
What is the InChIKey of N-(1,3-thiazol-2-yl)-4-(trifluoromethyl)piperidine-1-carboxamide?
The InChIKey is XVIPJZBHOGBHOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3OS/c11-10(12,13)7-1-4-16(5-2-7)9(17)15-8-14-3-6-18-8/h3,6-7H,1-2,4-5H2,(H,14,15,17).
What are the key properties of N-(1,3-thiazol-2-yl)-4-(trifluoromethyl)piperidine-1-carboxamide?
N-(1,3-thiazol-2-yl)-4-(trifluoromethyl)piperidine-1-carboxamide has a molecular weight of 279.29 g/mol, XLogP of 2.95, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-thiazol-2-yl)-4-(trifluoromethyl)piperidine-1-carboxamide is sourced from PubChem (CID 126827174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).