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

C14H13ClN4O2S — CID 16564145

IUPAC4-chloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(2-oxopyrrolidin-1-yl)benzamide
SMILESCc1nnc(NC(=O)c2ccc(Cl)c(N3CCCC3=O)c2)s1
InChIInChI=1S/C14H13ClN4O2S/c1-8-17-18-14(22-8)16-13(21)9-4-5-10(15)11(7-9)19-6-2-3-12(19)20/h4-5,7H,2-3,6H2,1H3,(H,16,18,21)
InChIKeyWYSHBPHKXKBPHI-UHFFFAOYSA-N
MW336.80 g/mol
LogP2.88
Rot. Bonds3

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

4-chloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(2-oxopyrrolidin-1-yl)benzamide (PubChem CID 16564145) has the molecular formula C14H13ClN4O2S and a molecular weight of 336.80 g/mol. Its IUPAC name is 4-chloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(2-oxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound Name4-chloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(2-oxopyrrolidin-1-yl)benzamide
PubChem CID16564145
Molecular FormulaC14H13ClN4O2S
Molecular Weight336.80 g/mol
Exact Mass336.04
IUPAC Name4-chloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(2-oxopyrrolidin-1-yl)benzamide
SMILESCc1nnc(NC(=O)c2ccc(Cl)c(N3CCCC3=O)c2)s1
InChIInChI=1S/C14H13ClN4O2S/c1-8-17-18-14(22-8)16-13(21)9-4-5-10(15)11(7-9)19-6-2-3-12(19)20/h4-5,7H,2-3,6H2,1H3,(H,16,18,21)
InChIKeyWYSHBPHKXKBPHI-UHFFFAOYSA-N
XLogP2.88
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.80
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-chloro-3-(2-oxopyrrolidin-1-yl)benzamide
CID 18200259
methyl 2-[[4-chloro-3-(2-oxopyrrolidin-1-yl)benzoyl]amino]-1,3-thiazole-5-carboxylate
CID 18103779
4-chloro-N-(4-methylphenyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 9042083
4-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 9046620
4-chloro-N-(4-methoxyphenyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 9042234
4-chloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-piperidin-1-ylsulfonylbenzamide
CID 26210272
methyl 2-[[4-chloro-3-(2-oxopyrrolidin-1-yl)benzoyl]amino]benzoate
CID 18200069
4-chloro-N-(5-chloro-2-methoxyphenyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 9068775
4-chloro-N-[4-(4-methoxyanilino)phenyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 18292701
N'-[4-chloro-3-(2-oxopyrrolidin-1-yl)benzoyl]-5-ethyl-4-methylthiophene-2-carbohydrazide
CID 9157940
N-benzhydryl-4-chloro-3-(2-oxopyrrolidin-1-yl)benzamide
CID 9046061
4-chloro-3-(2-oxopyrrolidin-1-yl)-N-[(1S)-1-phenylethyl]benzamide
CID 9032786

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(2-oxopyrrolidin-1-yl)benzamide?
The IUPAC name of 4-chloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(2-oxopyrrolidin-1-yl)benzamide (CID 16564145) is 4-chloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(2-oxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for 4-chloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(2-oxopyrrolidin-1-yl)benzamide?
The canonical SMILES for 4-chloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(2-oxopyrrolidin-1-yl)benzamide is Cc1nnc(NC(=O)c2ccc(Cl)c(N3CCCC3=O)c2)s1.
What is the InChIKey of 4-chloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(2-oxopyrrolidin-1-yl)benzamide?
The InChIKey is WYSHBPHKXKBPHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN4O2S/c1-8-17-18-14(22-8)16-13(21)9-4-5-10(15)11(7-9)19-6-2-3-12(19)20/h4-5,7H,2-3,6H2,1H3,(H,16,18,21).
What are the key properties of 4-chloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(2-oxopyrrolidin-1-yl)benzamide?
4-chloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(2-oxopyrrolidin-1-yl)benzamide has a molecular weight of 336.80 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(2-oxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 16564145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).