N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-(2-oxopyrrolidin-1-yl)benzamide

C14H14N4O2S — CID 16551062

IUPACN-(5-methyl-1,3,4-thiadiazol-2-yl)-4-(2-oxopyrrolidin-1-yl)benzamide
SMILESCc1nnc(NC(=O)c2ccc(N3CCCC3=O)cc2)s1
InChIInChI=1S/C14H14N4O2S/c1-9-16-17-14(21-9)15-13(20)10-4-6-11(7-5-10)18-8-2-3-12(18)19/h4-7H,2-3,8H2,1H3,(H,15,17,20)
InChIKeyNWOFSKHWRFYGSD-UHFFFAOYSA-N
MW302.36 g/mol
LogP2.23
Rot. Bonds3

About N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-(2-oxopyrrolidin-1-yl)benzamide

N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-(2-oxopyrrolidin-1-yl)benzamide (PubChem CID 16551062) 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)-4-(2-oxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-(5-methyl-1,3,4-thiadiazol-2-yl)-4-(2-oxopyrrolidin-1-yl)benzamide
PubChem CID16551062
Molecular FormulaC14H14N4O2S
Molecular Weight302.36 g/mol
Exact Mass302.08
IUPAC NameN-(5-methyl-1,3,4-thiadiazol-2-yl)-4-(2-oxopyrrolidin-1-yl)benzamide
SMILESCc1nnc(NC(=O)c2ccc(N3CCCC3=O)cc2)s1
InChIInChI=1S/C14H14N4O2S/c1-9-16-17-14(21-9)15-13(20)10-4-6-11(7-5-10)18-8-2-3-12(18)19/h4-7H,2-3,8H2,1H3,(H,15,17,20)
InChIKeyNWOFSKHWRFYGSD-UHFFFAOYSA-N
XLogP2.23
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 ≤ 52.23
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)-4-(2-oxopyrrolidin-1-yl)benzamide?
The IUPAC name of N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-(2-oxopyrrolidin-1-yl)benzamide (CID 16551062) is N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-(2-oxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-(2-oxopyrrolidin-1-yl)benzamide?
The canonical SMILES for N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-(2-oxopyrrolidin-1-yl)benzamide is Cc1nnc(NC(=O)c2ccc(N3CCCC3=O)cc2)s1.
What is the InChIKey of N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-(2-oxopyrrolidin-1-yl)benzamide?
The InChIKey is NWOFSKHWRFYGSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2S/c1-9-16-17-14(21-9)15-13(20)10-4-6-11(7-5-10)18-8-2-3-12(18)19/h4-7H,2-3,8H2,1H3,(H,15,17,20).
What are the key properties of N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-(2-oxopyrrolidin-1-yl)benzamide?
N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-(2-oxopyrrolidin-1-yl)benzamide has a molecular weight of 302.36 g/mol, XLogP of 2.23, 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)-4-(2-oxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 16551062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).