(2S)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]oxolane-2-carboxamide

C11H17N3O2S — CID 7318372

IUPAC(2S)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]oxolane-2-carboxamide
SMILESCC(C)Cc1nnc(NC(=O)[C@@H]2CCCO2)s1
InChIInChI=1S/C11H17N3O2S/c1-7(2)6-9-13-14-11(17-9)12-10(15)8-4-3-5-16-8/h7-8H,3-6H2,1-2H3,(H,12,14,15)/t8-/m0/s1
InChIKeyLCVCWUOETXLORX-QMMMGPOBSA-N
MW255.34 g/mol
LogP1.85
Rot. Bonds4

About (2S)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]oxolane-2-carboxamide

(2S)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]oxolane-2-carboxamide (PubChem CID 7318372) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is (2S)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]oxolane-2-carboxamide
PubChem CID7318372
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC Name(2S)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]oxolane-2-carboxamide
SMILESCC(C)Cc1nnc(NC(=O)[C@@H]2CCCO2)s1
InChIInChI=1S/C11H17N3O2S/c1-7(2)6-9-13-14-11(17-9)12-10(15)8-4-3-5-16-8/h7-8H,3-6H2,1-2H3,(H,12,14,15)/t8-/m0/s1
InChIKeyLCVCWUOETXLORX-QMMMGPOBSA-N
XLogP1.85
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-(5-methyl-1,3,4-thiadiazol-2-yl)oxolane-2-carboxamide
CID 1086842
N-[5-[2-(4-methylphenyl)sulfonylethyl]-1,3,4-thiadiazol-2-yl]oxolane-2-carboxamide
CID 650587
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide
CID 110461380
(2R)-N-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-thiadiazol-2-yl]oxolane-2-carboxamide
CID 41145379
(2R,3S)-2-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]morpholine-3-carboxamide
CID 120917902
N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]oxolane-2-carboxamide
CID 45154366
2,2-dimethyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]cyclopropane-1-carboxamide
CID 138992387
(2S)-N-[5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]oxolane-2-carboxamide
CID 35570023
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]morpholine-4-carboxamide
CID 3389877
1-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-3-(oxolan-3-yl)urea
CID 103839130
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 825378
(2S)-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)oxolane-2-carboxamide
CID 1225676

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]oxolane-2-carboxamide?
The IUPAC name of (2S)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]oxolane-2-carboxamide (CID 7318372) is (2S)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]oxolane-2-carboxamide.
What is the SMILES notation for (2S)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]oxolane-2-carboxamide?
The canonical SMILES for (2S)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]oxolane-2-carboxamide is CC(C)Cc1nnc(NC(=O)[C@@H]2CCCO2)s1.
What is the InChIKey of (2S)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]oxolane-2-carboxamide?
The InChIKey is LCVCWUOETXLORX-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H17N3O2S/c1-7(2)6-9-13-14-11(17-9)12-10(15)8-4-3-5-16-8/h7-8H,3-6H2,1-2H3,(H,12,14,15)/t8-/m0/s1.
What are the key properties of (2S)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]oxolane-2-carboxamide?
(2S)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]oxolane-2-carboxamide has a molecular weight of 255.34 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]oxolane-2-carboxamide is sourced from PubChem (CID 7318372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).