(3R)-1-[(2R)-1-methoxypropan-2-yl]-5-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide

C14H22N4O3S — CID 9373293

IUPAC(3R)-1-[(2R)-1-methoxypropan-2-yl]-5-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide
SMILESCOC[C@@H](C)N1C[C@H](C(=O)Nc2nnc(C(C)C)s2)CC1=O
InChIInChI=1S/C14H22N4O3S/c1-8(2)13-16-17-14(22-13)15-12(20)10-5-11(19)18(6-10)9(3)7-21-4/h8-10H,5-7H2,1-4H3,(H,15,17,20)/t9-,10-/m1/s1
InChIKeySHMLITQGONUBRU-NXEZZACHSA-N
MW326.42 g/mol
LogP1.48
Rot. Bonds6

About (3R)-1-[(2R)-1-methoxypropan-2-yl]-5-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide

(3R)-1-[(2R)-1-methoxypropan-2-yl]-5-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide (PubChem CID 9373293) has the molecular formula C14H22N4O3S and a molecular weight of 326.42 g/mol. Its IUPAC name is (3R)-1-[(2R)-1-methoxypropan-2-yl]-5-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[(2R)-1-methoxypropan-2-yl]-5-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide
PubChem CID9373293
Molecular FormulaC14H22N4O3S
Molecular Weight326.42 g/mol
Exact Mass326.14
IUPAC Name(3R)-1-[(2R)-1-methoxypropan-2-yl]-5-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide
SMILESCOC[C@@H](C)N1C[C@H](C(=O)Nc2nnc(C(C)C)s2)CC1=O
InChIInChI=1S/C14H22N4O3S/c1-8(2)13-16-17-14(22-13)15-12(20)10-5-11(19)18(6-10)9(3)7-21-4/h8-10H,5-7H2,1-4H3,(H,15,17,20)/t9-,10-/m1/s1
InChIKeySHMLITQGONUBRU-NXEZZACHSA-N
XLogP1.48
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3R)-1-[(2R)-1-methoxypropan-2-yl]-5-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-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 (3R)-1-[(2R)-1-methoxypropan-2-yl]-5-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-[(2R)-1-methoxypropan-2-yl]-5-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide (CID 9373293) is (3R)-1-[(2R)-1-methoxypropan-2-yl]-5-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[(2R)-1-methoxypropan-2-yl]-5-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-[(2R)-1-methoxypropan-2-yl]-5-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide is COC[C@@H](C)N1C[C@H](C(=O)Nc2nnc(C(C)C)s2)CC1=O.
What is the InChIKey of (3R)-1-[(2R)-1-methoxypropan-2-yl]-5-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide?
The InChIKey is SHMLITQGONUBRU-NXEZZACHSA-N. The full InChI is InChI=1S/C14H22N4O3S/c1-8(2)13-16-17-14(22-13)15-12(20)10-5-11(19)18(6-10)9(3)7-21-4/h8-10H,5-7H2,1-4H3,(H,15,17,20)/t9-,10-/m1/s1.
What are the key properties of (3R)-1-[(2R)-1-methoxypropan-2-yl]-5-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide?
(3R)-1-[(2R)-1-methoxypropan-2-yl]-5-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide has a molecular weight of 326.42 g/mol, XLogP of 1.48, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(2R)-1-methoxypropan-2-yl]-5-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 9373293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).