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

C17H16F3N5OS — CID 168679349

IUPAC1-methyl-N-[(1R)-1-[3-(2-methyl-4-pyridinyl)-1,2,4-thiadiazol-5-yl]ethyl]-4-(trifluoromethyl)pyrrole-2-carboxamide
SMILESCc1cc(-c2nsc([C@@H](C)NC(=O)c3cc(C(F)(F)F)cn3C)n2)ccn1
InChIInChI=1S/C17H16F3N5OS/c1-9-6-11(4-5-21-9)14-23-16(27-24-14)10(2)22-15(26)13-7-12(8-25(13)3)17(18,19)20/h4-8,10H,1-3H3,(H,22,26)/t10-/m1/s1
InChIKeyIYWQHYTWQONZNA-SNVBAGLBSA-N
MW395.41 g/mol
LogP3.76
Rot. Bonds4

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

1-methyl-N-[(1R)-1-[3-(2-methyl-4-pyridinyl)-1,2,4-thiadiazol-5-yl]ethyl]-4-(trifluoromethyl)pyrrole-2-carboxamide (PubChem CID 168679349) has the molecular formula C17H16F3N5OS and a molecular weight of 395.41 g/mol. Its IUPAC name is 1-methyl-N-[(1R)-1-[3-(2-methyl-4-pyridinyl)-1,2,4-thiadiazol-5-yl]ethyl]-4-(trifluoromethyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[(1R)-1-[3-(2-methyl-4-pyridinyl)-1,2,4-thiadiazol-5-yl]ethyl]-4-(trifluoromethyl)pyrrole-2-carboxamide
PubChem CID168679349
Molecular FormulaC17H16F3N5OS
Molecular Weight395.41 g/mol
Exact Mass395.10
IUPAC Name1-methyl-N-[(1R)-1-[3-(2-methyl-4-pyridinyl)-1,2,4-thiadiazol-5-yl]ethyl]-4-(trifluoromethyl)pyrrole-2-carboxamide
SMILESCc1cc(-c2nsc([C@@H](C)NC(=O)c3cc(C(F)(F)F)cn3C)n2)ccn1
InChIInChI=1S/C17H16F3N5OS/c1-9-6-11(4-5-21-9)14-23-16(27-24-14)10(2)22-15(26)13-7-12(8-25(13)3)17(18,19)20/h4-8,10H,1-3H3,(H,22,26)/t10-/m1/s1
InChIKeyIYWQHYTWQONZNA-SNVBAGLBSA-N
XLogP3.76
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.41
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-methyl-N-[(1R)-1-[3-(2-methyl-4-pyridinyl)-1,2,4-thiadiazol-5-yl]ethyl]-4-(trifluoromethyl)pyrrole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(1R)-1-[3-(2-methyl-4-pyridinyl)-1,2,4-thiadiazol-5-yl]ethyl]-4-(trifluoromethyl)pyrrole-2-carboxamide?
The IUPAC name of 1-methyl-N-[(1R)-1-[3-(2-methyl-4-pyridinyl)-1,2,4-thiadiazol-5-yl]ethyl]-4-(trifluoromethyl)pyrrole-2-carboxamide (CID 168679349) is 1-methyl-N-[(1R)-1-[3-(2-methyl-4-pyridinyl)-1,2,4-thiadiazol-5-yl]ethyl]-4-(trifluoromethyl)pyrrole-2-carboxamide.
What is the SMILES notation for 1-methyl-N-[(1R)-1-[3-(2-methyl-4-pyridinyl)-1,2,4-thiadiazol-5-yl]ethyl]-4-(trifluoromethyl)pyrrole-2-carboxamide?
The canonical SMILES for 1-methyl-N-[(1R)-1-[3-(2-methyl-4-pyridinyl)-1,2,4-thiadiazol-5-yl]ethyl]-4-(trifluoromethyl)pyrrole-2-carboxamide is Cc1cc(-c2nsc([C@@H](C)NC(=O)c3cc(C(F)(F)F)cn3C)n2)ccn1.
What is the InChIKey of 1-methyl-N-[(1R)-1-[3-(2-methyl-4-pyridinyl)-1,2,4-thiadiazol-5-yl]ethyl]-4-(trifluoromethyl)pyrrole-2-carboxamide?
The InChIKey is IYWQHYTWQONZNA-SNVBAGLBSA-N. The full InChI is InChI=1S/C17H16F3N5OS/c1-9-6-11(4-5-21-9)14-23-16(27-24-14)10(2)22-15(26)13-7-12(8-25(13)3)17(18,19)20/h4-8,10H,1-3H3,(H,22,26)/t10-/m1/s1.
What are the key properties of 1-methyl-N-[(1R)-1-[3-(2-methyl-4-pyridinyl)-1,2,4-thiadiazol-5-yl]ethyl]-4-(trifluoromethyl)pyrrole-2-carboxamide?
1-methyl-N-[(1R)-1-[3-(2-methyl-4-pyridinyl)-1,2,4-thiadiazol-5-yl]ethyl]-4-(trifluoromethyl)pyrrole-2-carboxamide has a molecular weight of 395.41 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(1R)-1-[3-(2-methyl-4-pyridinyl)-1,2,4-thiadiazol-5-yl]ethyl]-4-(trifluoromethyl)pyrrole-2-carboxamide is sourced from PubChem (CID 168679349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).