1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]sulfonyl]piperidine-4-carboxamide

C11H14F3N3O3S2 — CID 175401894

IUPAC1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]sulfonyl]piperidine-4-carboxamide
SMILESCc1nc(C(F)(F)F)c(S(=O)(=O)N2CCC(C(N)=O)CC2)s1
InChIInChI=1S/C11H14F3N3O3S2/c1-6-16-8(11(12,13)14)10(21-6)22(19,20)17-4-2-7(3-5-17)9(15)18/h7H,2-5H2,1H3,(H2,15,18)
InChIKeyXHNTULPHROGKHA-UHFFFAOYSA-N
MW357.38 g/mol
LogP1.36
Rot. Bonds3

About 1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]sulfonyl]piperidine-4-carboxamide

1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]sulfonyl]piperidine-4-carboxamide (PubChem CID 175401894) has the molecular formula C11H14F3N3O3S2 and a molecular weight of 357.38 g/mol. Its IUPAC name is 1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]sulfonyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]sulfonyl]piperidine-4-carboxamide
PubChem CID175401894
Molecular FormulaC11H14F3N3O3S2
Molecular Weight357.38 g/mol
Exact Mass357.04
IUPAC Name1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]sulfonyl]piperidine-4-carboxamide
SMILESCc1nc(C(F)(F)F)c(S(=O)(=O)N2CCC(C(N)=O)CC2)s1
InChIInChI=1S/C11H14F3N3O3S2/c1-6-16-8(11(12,13)14)10(21-6)22(19,20)17-4-2-7(3-5-17)9(15)18/h7H,2-5H2,1H3,(H2,15,18)
InChIKeyXHNTULPHROGKHA-UHFFFAOYSA-N
XLogP1.36
TPSA93.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.38
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperidine-4-carboxamide
CID 3559679
1-(5-bromo-4-methylthiophen-2-yl)sulfonylpiperidine-4-carboxamide
CID 79926328
2,4-dimethyl-5-pyrrolidin-1-ylsulfonyl-1,3-thiazole
CID 127408516
1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide
CID 6462654
N-ethyl-1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidine-4-carboxamide
CID 86791160
1-(4-methylsulfonylphenyl)sulfonylpiperidine-4-carboxamide
CID 31534108
1-(5-chlorothiophen-2-yl)sulfonylpiperidine-4-carboxamide
CID 18078359
4-carbamoylpiperidine-1-sulfonyl chloride
CID 16786397
1-(5-amino-2,3-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 29050686
1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]-N,N-dimethylpiperidine-4-carboxamide
CID 61045949
1-(4-sulfamoylphenyl)sulfonylpiperidine-4-carboxamide
CID 3137783
1-(4-bromo-2-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 15944015

Frequently Asked Questions

What is the IUPAC name of 1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]sulfonyl]piperidine-4-carboxamide?
The IUPAC name of 1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]sulfonyl]piperidine-4-carboxamide (CID 175401894) is 1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]sulfonyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]sulfonyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]sulfonyl]piperidine-4-carboxamide is Cc1nc(C(F)(F)F)c(S(=O)(=O)N2CCC(C(N)=O)CC2)s1.
What is the InChIKey of 1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]sulfonyl]piperidine-4-carboxamide?
The InChIKey is XHNTULPHROGKHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O3S2/c1-6-16-8(11(12,13)14)10(21-6)22(19,20)17-4-2-7(3-5-17)9(15)18/h7H,2-5H2,1H3,(H2,15,18).
What are the key properties of 1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]sulfonyl]piperidine-4-carboxamide?
1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]sulfonyl]piperidine-4-carboxamide has a molecular weight of 357.38 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]sulfonyl]piperidine-4-carboxamide is sourced from PubChem (CID 175401894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).