1-methyl-N-[(1S)-1-[3-(2-methyl-4-pyridinyl)-1,2,4-thiadiazol-5-yl]ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide

C16H15F3N6OS — CID 166760955

IUPAC1-methyl-N-[(1S)-1-[3-(2-methyl-4-pyridinyl)-1,2,4-thiadiazol-5-yl]ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCc1cc(-c2nsc([C@H](C)NC(=O)c3cc(C(F)(F)F)nn3C)n2)ccn1
InChIInChI=1S/C16H15F3N6OS/c1-8-6-10(4-5-20-8)13-22-15(27-24-13)9(2)21-14(26)11-7-12(16(17,18)19)23-25(11)3/h4-7,9H,1-3H3,(H,21,26)/t9-/m0/s1
InChIKeyMMYANGVOJCJFFT-VIFPVBQESA-N
MW396.40 g/mol
LogP3.15
Rot. Bonds4

About 1-methyl-N-[(1S)-1-[3-(2-methyl-4-pyridinyl)-1,2,4-thiadiazol-5-yl]ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide

1-methyl-N-[(1S)-1-[3-(2-methyl-4-pyridinyl)-1,2,4-thiadiazol-5-yl]ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide (PubChem CID 166760955) has the molecular formula C16H15F3N6OS and a molecular weight of 396.40 g/mol. Its IUPAC name is 1-methyl-N-[(1S)-1-[3-(2-methyl-4-pyridinyl)-1,2,4-thiadiazol-5-yl]ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[(1S)-1-[3-(2-methyl-4-pyridinyl)-1,2,4-thiadiazol-5-yl]ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
PubChem CID166760955
Molecular FormulaC16H15F3N6OS
Molecular Weight396.40 g/mol
Exact Mass396.10
IUPAC Name1-methyl-N-[(1S)-1-[3-(2-methyl-4-pyridinyl)-1,2,4-thiadiazol-5-yl]ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCc1cc(-c2nsc([C@H](C)NC(=O)c3cc(C(F)(F)F)nn3C)n2)ccn1
InChIInChI=1S/C16H15F3N6OS/c1-8-6-10(4-5-20-8)13-22-15(27-24-13)9(2)21-14(26)11-7-12(16(17,18)19)23-25(11)3/h4-7,9H,1-3H3,(H,21,26)/t9-/m0/s1
InChIKeyMMYANGVOJCJFFT-VIFPVBQESA-N
XLogP3.15
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.40
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-methyl-N-[(1R)-1-[3-(2-methyl-4-pyridinyl)-1,2,4-thiadiazol-5-yl]ethyl]-4-(trifluoromethyl)pyrrole-2-carboxamide
CID 168679349
N-[(1S)-1-[3-(2-ethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 155271905
1-methyl-N-[(1S)-1-(3-piperidin-1-yl-1,2,4-thiadiazol-5-yl)ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 166760923
1-methyl-N-[(1S)-1-[3-(2-piperidin-1-yl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 155271847
N-[1-[3-[2-(3,3-difluoroazetidin-1-yl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 155272405
N-[(1S)-1-[3-(2-cyclobutyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 155272367
N-[(1S)-1-[3-(2-cyclopropyloxy-4-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 155271733
N-[(1S)-1-[3-(3-cyanophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 167186039
N-[1-(2-bromo-1,3-thiazol-5-yl)ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 169263010
(1R)-1-[3-(2-methyl-4-pyridinyl)-1,2,4-thiadiazol-5-yl]ethanamine
CID 166760947
1-methyl-N-[1-(2-phenyl-1,3-thiazol-5-yl)ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 170310986
N-[1-[3-[6-(hydroxymethyl)-3-pyridinyl]-1-methylpyrazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 169262871

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(1S)-1-[3-(2-methyl-4-pyridinyl)-1,2,4-thiadiazol-5-yl]ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
The IUPAC name of 1-methyl-N-[(1S)-1-[3-(2-methyl-4-pyridinyl)-1,2,4-thiadiazol-5-yl]ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide (CID 166760955) is 1-methyl-N-[(1S)-1-[3-(2-methyl-4-pyridinyl)-1,2,4-thiadiazol-5-yl]ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide.
What is the SMILES notation for 1-methyl-N-[(1S)-1-[3-(2-methyl-4-pyridinyl)-1,2,4-thiadiazol-5-yl]ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
The canonical SMILES for 1-methyl-N-[(1S)-1-[3-(2-methyl-4-pyridinyl)-1,2,4-thiadiazol-5-yl]ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide is Cc1cc(-c2nsc([C@H](C)NC(=O)c3cc(C(F)(F)F)nn3C)n2)ccn1.
What is the InChIKey of 1-methyl-N-[(1S)-1-[3-(2-methyl-4-pyridinyl)-1,2,4-thiadiazol-5-yl]ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
The InChIKey is MMYANGVOJCJFFT-VIFPVBQESA-N. The full InChI is InChI=1S/C16H15F3N6OS/c1-8-6-10(4-5-20-8)13-22-15(27-24-13)9(2)21-14(26)11-7-12(16(17,18)19)23-25(11)3/h4-7,9H,1-3H3,(H,21,26)/t9-/m0/s1.
What are the key properties of 1-methyl-N-[(1S)-1-[3-(2-methyl-4-pyridinyl)-1,2,4-thiadiazol-5-yl]ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
1-methyl-N-[(1S)-1-[3-(2-methyl-4-pyridinyl)-1,2,4-thiadiazol-5-yl]ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide has a molecular weight of 396.40 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(1S)-1-[3-(2-methyl-4-pyridinyl)-1,2,4-thiadiazol-5-yl]ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 166760955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).