2-chloro-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]benzamide

C12H10ClN3O2S — CID 2134766

IUPAC2-chloro-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]benzamide
SMILESCC(=O)Cc1nsc(NC(=O)c2ccccc2Cl)n1
InChIInChI=1S/C12H10ClN3O2S/c1-7(17)6-10-14-12(19-16-10)15-11(18)8-4-2-3-5-9(8)13/h2-5H,6H2,1H3,(H,14,15,16,18)
InChIKeyXJQJKMJXZYDALC-UHFFFAOYSA-N
MW295.75 g/mol
LogP2.58
Rot. Bonds4

About 2-chloro-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]benzamide

2-chloro-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]benzamide (PubChem CID 2134766) has the molecular formula C12H10ClN3O2S and a molecular weight of 295.75 g/mol. Its IUPAC name is 2-chloro-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]benzamide
PubChem CID2134766
Molecular FormulaC12H10ClN3O2S
Molecular Weight295.75 g/mol
Exact Mass295.02
IUPAC Name2-chloro-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]benzamide
SMILESCC(=O)Cc1nsc(NC(=O)c2ccccc2Cl)n1
InChIInChI=1S/C12H10ClN3O2S/c1-7(17)6-10-14-12(19-16-10)15-11(18)8-4-2-3-5-9(8)13/h2-5H,6H2,1H3,(H,14,15,16,18)
InChIKeyXJQJKMJXZYDALC-UHFFFAOYSA-N
XLogP2.58
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.75
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]benzamide?
The IUPAC name of 2-chloro-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]benzamide (CID 2134766) is 2-chloro-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]benzamide?
The canonical SMILES for 2-chloro-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]benzamide is CC(=O)Cc1nsc(NC(=O)c2ccccc2Cl)n1.
What is the InChIKey of 2-chloro-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]benzamide?
The InChIKey is XJQJKMJXZYDALC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3O2S/c1-7(17)6-10-14-12(19-16-10)15-11(18)8-4-2-3-5-9(8)13/h2-5H,6H2,1H3,(H,14,15,16,18).
What are the key properties of 2-chloro-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]benzamide?
2-chloro-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]benzamide has a molecular weight of 295.75 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]benzamide is sourced from PubChem (CID 2134766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).