N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide

C14H14N4O2S — CID 2980540

IUPACN-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
SMILESCc1nnc(NC(=O)C2CC(=O)N(c3ccccc3)C2)s1
InChIInChI=1S/C14H14N4O2S/c1-9-16-17-14(21-9)15-13(20)10-7-12(19)18(8-10)11-5-3-2-4-6-11/h2-6,10H,7-8H2,1H3,(H,15,17,20)
InChIKeyFYAMDDZGKYCBTP-UHFFFAOYSA-N
MW302.36 g/mol
LogP1.84
Rot. Bonds3

About N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide

N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide (PubChem CID 2980540) has the molecular formula C14H14N4O2S and a molecular weight of 302.36 g/mol. Its IUPAC name is N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
PubChem CID2980540
Molecular FormulaC14H14N4O2S
Molecular Weight302.36 g/mol
Exact Mass302.08
IUPAC NameN-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
SMILESCc1nnc(NC(=O)C2CC(=O)N(c3ccccc3)C2)s1
InChIInChI=1S/C14H14N4O2S/c1-9-16-17-14(21-9)15-13(20)10-7-12(19)18(8-10)11-5-3-2-4-6-11/h2-6,10H,7-8H2,1H3,(H,15,17,20)
InChIKeyFYAMDDZGKYCBTP-UHFFFAOYSA-N
XLogP1.84
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The IUPAC name of N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide (CID 2980540) is N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide is Cc1nnc(NC(=O)C2CC(=O)N(c3ccccc3)C2)s1.
What is the InChIKey of N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The InChIKey is FYAMDDZGKYCBTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2S/c1-9-16-17-14(21-9)15-13(20)10-7-12(19)18(8-10)11-5-3-2-4-6-11/h2-6,10H,7-8H2,1H3,(H,15,17,20).
What are the key properties of N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide?
N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide has a molecular weight of 302.36 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide is sourced from PubChem (CID 2980540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).