(3R,4R)-1-(3-methyl-1,2,4-thiadiazol-5-yl)-4-(trifluoromethyl)pyrrolidine-3-carboxamide

C9H11F3N4OS — CID 138018740

IUPAC(3R,4R)-1-(3-methyl-1,2,4-thiadiazol-5-yl)-4-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCc1nsc(N2C[C@H](C(N)=O)[C@@H](C(F)(F)F)C2)n1
InChIInChI=1S/C9H11F3N4OS/c1-4-14-8(18-15-4)16-2-5(7(13)17)6(3-16)9(10,11)12/h5-6H,2-3H2,1H3,(H2,13,17)/t5-,6-/m0/s1
InChIKeySRSTVNPCNMHESE-WDSKDSINSA-N
MW280.28 g/mol
LogP0.95
Rot. Bonds2

About (3R,4R)-1-(3-methyl-1,2,4-thiadiazol-5-yl)-4-(trifluoromethyl)pyrrolidine-3-carboxamide

(3R,4R)-1-(3-methyl-1,2,4-thiadiazol-5-yl)-4-(trifluoromethyl)pyrrolidine-3-carboxamide (PubChem CID 138018740) has the molecular formula C9H11F3N4OS and a molecular weight of 280.28 g/mol. Its IUPAC name is (3R,4R)-1-(3-methyl-1,2,4-thiadiazol-5-yl)-4-(trifluoromethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R,4R)-1-(3-methyl-1,2,4-thiadiazol-5-yl)-4-(trifluoromethyl)pyrrolidine-3-carboxamide
PubChem CID138018740
Molecular FormulaC9H11F3N4OS
Molecular Weight280.28 g/mol
Exact Mass280.06
IUPAC Name(3R,4R)-1-(3-methyl-1,2,4-thiadiazol-5-yl)-4-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCc1nsc(N2C[C@H](C(N)=O)[C@@H](C(F)(F)F)C2)n1
InChIInChI=1S/C9H11F3N4OS/c1-4-14-8(18-15-4)16-2-5(7(13)17)6(3-16)9(10,11)12/h5-6H,2-3H2,1H3,(H2,13,17)/t5-,6-/m0/s1
InChIKeySRSTVNPCNMHESE-WDSKDSINSA-N
XLogP0.95
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-(3-methyl-1,2,4-thiadiazol-5-yl)-4-(trifluoromethyl)pyrrolidine-3-carboxamide?
The IUPAC name of (3R,4R)-1-(3-methyl-1,2,4-thiadiazol-5-yl)-4-(trifluoromethyl)pyrrolidine-3-carboxamide (CID 138018740) is (3R,4R)-1-(3-methyl-1,2,4-thiadiazol-5-yl)-4-(trifluoromethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R,4R)-1-(3-methyl-1,2,4-thiadiazol-5-yl)-4-(trifluoromethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3R,4R)-1-(3-methyl-1,2,4-thiadiazol-5-yl)-4-(trifluoromethyl)pyrrolidine-3-carboxamide is Cc1nsc(N2C[C@H](C(N)=O)[C@@H](C(F)(F)F)C2)n1.
What is the InChIKey of (3R,4R)-1-(3-methyl-1,2,4-thiadiazol-5-yl)-4-(trifluoromethyl)pyrrolidine-3-carboxamide?
The InChIKey is SRSTVNPCNMHESE-WDSKDSINSA-N. The full InChI is InChI=1S/C9H11F3N4OS/c1-4-14-8(18-15-4)16-2-5(7(13)17)6(3-16)9(10,11)12/h5-6H,2-3H2,1H3,(H2,13,17)/t5-,6-/m0/s1.
What are the key properties of (3R,4R)-1-(3-methyl-1,2,4-thiadiazol-5-yl)-4-(trifluoromethyl)pyrrolidine-3-carboxamide?
(3R,4R)-1-(3-methyl-1,2,4-thiadiazol-5-yl)-4-(trifluoromethyl)pyrrolidine-3-carboxamide has a molecular weight of 280.28 g/mol, XLogP of 0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-(3-methyl-1,2,4-thiadiazol-5-yl)-4-(trifluoromethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 138018740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).