N-[[4-fluoro-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-4-yl]methyl]cyclopropanecarboxamide

C14H17F4N3OS — CID 165432028

IUPACN-[[4-fluoro-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-4-yl]methyl]cyclopropanecarboxamide
SMILESO=C(NCC1(F)CCN(c2nc(C(F)(F)F)cs2)CC1)C1CC1
InChIInChI=1S/C14H17F4N3OS/c15-13(8-19-11(22)9-1-2-9)3-5-21(6-4-13)12-20-10(7-23-12)14(16,17)18/h7,9H,1-6,8H2,(H,19,22)
InChIKeyVAGLVOMSQGOQSU-UHFFFAOYSA-N
MW351.37 g/mol
LogP3.00
Rot. Bonds4

About N-[[4-fluoro-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-4-yl]methyl]cyclopropanecarboxamide

N-[[4-fluoro-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-4-yl]methyl]cyclopropanecarboxamide (PubChem CID 165432028) has the molecular formula C14H17F4N3OS and a molecular weight of 351.37 g/mol. Its IUPAC name is N-[[4-fluoro-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-4-yl]methyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[[4-fluoro-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-4-yl]methyl]cyclopropanecarboxamide
PubChem CID165432028
Molecular FormulaC14H17F4N3OS
Molecular Weight351.37 g/mol
Exact Mass351.10
IUPAC NameN-[[4-fluoro-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-4-yl]methyl]cyclopropanecarboxamide
SMILESO=C(NCC1(F)CCN(c2nc(C(F)(F)F)cs2)CC1)C1CC1
InChIInChI=1S/C14H17F4N3OS/c15-13(8-19-11(22)9-1-2-9)3-5-21(6-4-13)12-20-10(7-23-12)14(16,17)18/h7,9H,1-6,8H2,(H,19,22)
InChIKeyVAGLVOMSQGOQSU-UHFFFAOYSA-N
XLogP3.00
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.37
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 163348930
N-[[4-fluoro-1-(4-fluoro-1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]cyclopropanecarboxamide
CID 165433214
1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-4-amine
CID 69066579
N-[[4-fluoro-1-([1,3]thiazolo[4,5-c]pyridin-2-yl)piperidin-4-yl]methyl]cyclopropanecarboxamide
CID 165432589
N-[(4-fluoro-1-pyrimidin-4-ylpiperidin-4-yl)methyl]cyclopropanecarboxamide
CID 165431964
N-[[4-fluoro-1-[6-(trifluoromethyl)-3-pyridinyl]piperidin-4-yl]methyl]oxolane-3-carboxamide
CID 165432188
N-[[4-fluoro-1-(5-methoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]cyclopropanecarboxamide
CID 165433363
1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-4-yl]ethanone
CID 172880827
N-[[4-fluoro-1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]cyclopropanecarboxamide
CID 165432135
N-[[1-(4,6-difluoro-1,3-benzothiazol-2-yl)-4-fluoropiperidin-4-yl]methyl]oxolane-3-carboxamide
CID 165433346
2-[4-(difluoromethyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-thiazole
CID 166602194
N-[[1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-4-fluoropiperidin-4-yl]methyl]cyclopropanecarboxamide
CID 165432562

Frequently Asked Questions

What is the IUPAC name of N-[[4-fluoro-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-4-yl]methyl]cyclopropanecarboxamide?
The IUPAC name of N-[[4-fluoro-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-4-yl]methyl]cyclopropanecarboxamide (CID 165432028) is N-[[4-fluoro-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-4-yl]methyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[[4-fluoro-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-4-yl]methyl]cyclopropanecarboxamide?
The canonical SMILES for N-[[4-fluoro-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-4-yl]methyl]cyclopropanecarboxamide is O=C(NCC1(F)CCN(c2nc(C(F)(F)F)cs2)CC1)C1CC1.
What is the InChIKey of N-[[4-fluoro-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-4-yl]methyl]cyclopropanecarboxamide?
The InChIKey is VAGLVOMSQGOQSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F4N3OS/c15-13(8-19-11(22)9-1-2-9)3-5-21(6-4-13)12-20-10(7-23-12)14(16,17)18/h7,9H,1-6,8H2,(H,19,22).
What are the key properties of N-[[4-fluoro-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-4-yl]methyl]cyclopropanecarboxamide?
N-[[4-fluoro-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-4-yl]methyl]cyclopropanecarboxamide has a molecular weight of 351.37 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-fluoro-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-4-yl]methyl]cyclopropanecarboxamide is sourced from PubChem (CID 165432028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).