N-[(2S,4R)-2-(trifluoromethyl)piperidin-4-yl]-1,3-thiazole-5-carboxamide

C10H12F3N3OS — CID 166323901

IUPACN-[(2S,4R)-2-(trifluoromethyl)piperidin-4-yl]-1,3-thiazole-5-carboxamide
SMILESO=C(N[C@@H]1CCN[C@H](C(F)(F)F)C1)c1cncs1
InChIInChI=1S/C10H12F3N3OS/c11-10(12,13)8-3-6(1-2-15-8)16-9(17)7-4-14-5-18-7/h4-6,8,15H,1-3H2,(H,16,17)/t6-,8+/m1/s1
InChIKeyZKVVAVUGKLTZCJ-SVRRBLITSA-N
MW279.29 g/mol
LogP1.56
Rot. Bonds2

About N-[(2S,4R)-2-(trifluoromethyl)piperidin-4-yl]-1,3-thiazole-5-carboxamide

N-[(2S,4R)-2-(trifluoromethyl)piperidin-4-yl]-1,3-thiazole-5-carboxamide (PubChem CID 166323901) has the molecular formula C10H12F3N3OS and a molecular weight of 279.29 g/mol. Its IUPAC name is N-[(2S,4R)-2-(trifluoromethyl)piperidin-4-yl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2S,4R)-2-(trifluoromethyl)piperidin-4-yl]-1,3-thiazole-5-carboxamide
PubChem CID166323901
Molecular FormulaC10H12F3N3OS
Molecular Weight279.29 g/mol
Exact Mass279.07
IUPAC NameN-[(2S,4R)-2-(trifluoromethyl)piperidin-4-yl]-1,3-thiazole-5-carboxamide
SMILESO=C(N[C@@H]1CCN[C@H](C(F)(F)F)C1)c1cncs1
InChIInChI=1S/C10H12F3N3OS/c11-10(12,13)8-3-6(1-2-15-8)16-9(17)7-4-14-5-18-7/h4-6,8,15H,1-3H2,(H,16,17)/t6-,8+/m1/s1
InChIKeyZKVVAVUGKLTZCJ-SVRRBLITSA-N
XLogP1.56
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-(1,3-thiazole-5-carbonyl)piperidine-3-carboxamide
CID 73439408
1-{4-[(1,3-Thiazol-5-ylmethyl)amino]piperidin-1-yl}ethan-1-one
CID 62758882
N-[(2S)-spiro[2.3]hexan-2-yl]-1,3-thiazole-5-carboxamide
CID 164632012
2-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide
CID 58458786
(2-Bromothiazol-5-yl)(4-fluoropiperidin-1-yl)methanone
CID 67111015
(2-Bromothiazol-5-yl)(3-fluoropiperidin-1-yl)methanone
CID 67111026
N-(difluoromethyl)-1,3-thiazole-5-carboxamide
CID 67240228
N-(2,6-dioxopiperidin-3-yl)-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide
CID 156408229
2-bromo-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide
CID 168198720
N-((1r,4r)-4-aminocyclohexyl)thiazole-5-carboxamide
CID 108041300
N-((1r,4r)-4-aminocyclohexyl)-2-ethylthiazole-5-carboxamide
CID 132227597
N-(1-(1-(L-alanyl)piperidin-4-yl)ethyl)thiazole-5-carboxamide
CID 132227731

Frequently Asked Questions

What is the IUPAC name of N-[(2S,4R)-2-(trifluoromethyl)piperidin-4-yl]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[(2S,4R)-2-(trifluoromethyl)piperidin-4-yl]-1,3-thiazole-5-carboxamide (CID 166323901) is N-[(2S,4R)-2-(trifluoromethyl)piperidin-4-yl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[(2S,4R)-2-(trifluoromethyl)piperidin-4-yl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[(2S,4R)-2-(trifluoromethyl)piperidin-4-yl]-1,3-thiazole-5-carboxamide is O=C(N[C@@H]1CCN[C@H](C(F)(F)F)C1)c1cncs1.
What is the InChIKey of N-[(2S,4R)-2-(trifluoromethyl)piperidin-4-yl]-1,3-thiazole-5-carboxamide?
The InChIKey is ZKVVAVUGKLTZCJ-SVRRBLITSA-N. The full InChI is InChI=1S/C10H12F3N3OS/c11-10(12,13)8-3-6(1-2-15-8)16-9(17)7-4-14-5-18-7/h4-6,8,15H,1-3H2,(H,16,17)/t6-,8+/m1/s1.
What are the key properties of N-[(2S,4R)-2-(trifluoromethyl)piperidin-4-yl]-1,3-thiazole-5-carboxamide?
N-[(2S,4R)-2-(trifluoromethyl)piperidin-4-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 279.29 g/mol, XLogP of 1.56, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,4R)-2-(trifluoromethyl)piperidin-4-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 166323901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).