(3S)-1-cyclohexyl-5-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-3-carboxamide

C14H17F3N4O2S — CID 7336941

IUPAC(3S)-1-cyclohexyl-5-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-3-carboxamide
SMILESO=C(Nc1nnc(C(F)(F)F)s1)[C@H]1CC(=O)N(C2CCCCC2)C1
InChIInChI=1S/C14H17F3N4O2S/c15-14(16,17)12-19-20-13(24-12)18-11(23)8-6-10(22)21(7-8)9-4-2-1-3-5-9/h8-9H,1-7H2,(H,18,20,23)/t8-/m0/s1
InChIKeyLWBDHNHPTRLWKQ-QMMMGPOBSA-N
MW362.38 g/mol
LogP2.68
Rot. Bonds3

About (3S)-1-cyclohexyl-5-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-3-carboxamide

(3S)-1-cyclohexyl-5-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-3-carboxamide (PubChem CID 7336941) has the molecular formula C14H17F3N4O2S and a molecular weight of 362.38 g/mol. Its IUPAC name is (3S)-1-cyclohexyl-5-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-cyclohexyl-5-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-3-carboxamide
PubChem CID7336941
Molecular FormulaC14H17F3N4O2S
Molecular Weight362.38 g/mol
Exact Mass362.10
IUPAC Name(3S)-1-cyclohexyl-5-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-3-carboxamide
SMILESO=C(Nc1nnc(C(F)(F)F)s1)[C@H]1CC(=O)N(C2CCCCC2)C1
InChIInChI=1S/C14H17F3N4O2S/c15-14(16,17)12-19-20-13(24-12)18-11(23)8-6-10(22)21(7-8)9-4-2-1-3-5-9/h8-9H,1-7H2,(H,18,20,23)/t8-/m0/s1
InChIKeyLWBDHNHPTRLWKQ-QMMMGPOBSA-N
XLogP2.68
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.38
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-cyclohexyl-5-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-cyclohexyl-5-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-3-carboxamide (CID 7336941) is (3S)-1-cyclohexyl-5-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-cyclohexyl-5-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-cyclohexyl-5-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-3-carboxamide is O=C(Nc1nnc(C(F)(F)F)s1)[C@H]1CC(=O)N(C2CCCCC2)C1.
What is the InChIKey of (3S)-1-cyclohexyl-5-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-3-carboxamide?
The InChIKey is LWBDHNHPTRLWKQ-QMMMGPOBSA-N. The full InChI is InChI=1S/C14H17F3N4O2S/c15-14(16,17)12-19-20-13(24-12)18-11(23)8-6-10(22)21(7-8)9-4-2-1-3-5-9/h8-9H,1-7H2,(H,18,20,23)/t8-/m0/s1.
What are the key properties of (3S)-1-cyclohexyl-5-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-3-carboxamide?
(3S)-1-cyclohexyl-5-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-3-carboxamide has a molecular weight of 362.38 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-cyclohexyl-5-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 7336941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).