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

C16H15F3N6O2S — CID 166760926

IUPACN-[(1R)-1-[3-(2-methoxy-4-pyridinyl)-1,2,4-thiadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCOc1cc(-c2nsc([C@@H](C)NC(=O)c3cc(C(F)(F)F)nn3C)n2)ccn1
InChIInChI=1S/C16H15F3N6O2S/c1-8(21-14(26)10-7-11(16(17,18)19)23-25(10)2)15-22-13(24-28-15)9-4-5-20-12(6-9)27-3/h4-8H,1-3H3,(H,21,26)/t8-/m1/s1
InChIKeySQBVKZXHXJOKQH-MRVPVSSYSA-N
MW412.40 g/mol
LogP2.85
Rot. Bonds5

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

N-[(1R)-1-[3-(2-methoxy-4-pyridinyl)-1,2,4-thiadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide (PubChem CID 166760926) has the molecular formula C16H15F3N6O2S and a molecular weight of 412.40 g/mol. Its IUPAC name is N-[(1R)-1-[3-(2-methoxy-4-pyridinyl)-1,2,4-thiadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-[3-(2-methoxy-4-pyridinyl)-1,2,4-thiadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
PubChem CID166760926
Molecular FormulaC16H15F3N6O2S
Molecular Weight412.40 g/mol
Exact Mass412.09
IUPAC NameN-[(1R)-1-[3-(2-methoxy-4-pyridinyl)-1,2,4-thiadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCOc1cc(-c2nsc([C@@H](C)NC(=O)c3cc(C(F)(F)F)nn3C)n2)ccn1
InChIInChI=1S/C16H15F3N6O2S/c1-8(21-14(26)10-7-11(16(17,18)19)23-25(10)2)15-22-13(24-28-15)9-4-5-20-12(6-9)27-3/h4-8H,1-3H3,(H,21,26)/t8-/m1/s1
InChIKeySQBVKZXHXJOKQH-MRVPVSSYSA-N
XLogP2.85
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.40
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[3-(2-methoxy-4-pyridinyl)-1,2,4-thiadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The IUPAC name of N-[(1R)-1-[3-(2-methoxy-4-pyridinyl)-1,2,4-thiadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide (CID 166760926) is N-[(1R)-1-[3-(2-methoxy-4-pyridinyl)-1,2,4-thiadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide.
What is the SMILES notation for N-[(1R)-1-[3-(2-methoxy-4-pyridinyl)-1,2,4-thiadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The canonical SMILES for N-[(1R)-1-[3-(2-methoxy-4-pyridinyl)-1,2,4-thiadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide is COc1cc(-c2nsc([C@@H](C)NC(=O)c3cc(C(F)(F)F)nn3C)n2)ccn1.
What is the InChIKey of N-[(1R)-1-[3-(2-methoxy-4-pyridinyl)-1,2,4-thiadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The InChIKey is SQBVKZXHXJOKQH-MRVPVSSYSA-N. The full InChI is InChI=1S/C16H15F3N6O2S/c1-8(21-14(26)10-7-11(16(17,18)19)23-25(10)2)15-22-13(24-28-15)9-4-5-20-12(6-9)27-3/h4-8H,1-3H3,(H,21,26)/t8-/m1/s1.
What are the key properties of N-[(1R)-1-[3-(2-methoxy-4-pyridinyl)-1,2,4-thiadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
N-[(1R)-1-[3-(2-methoxy-4-pyridinyl)-1,2,4-thiadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide has a molecular weight of 412.40 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[3-(2-methoxy-4-pyridinyl)-1,2,4-thiadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 166760926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).