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

C12H9Cl2N3O2S — CID 2107779

IUPAC2,4-dichloro-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]benzamide
SMILESCC(=O)Cc1nsc(NC(=O)c2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C12H9Cl2N3O2S/c1-6(18)4-10-15-12(20-17-10)16-11(19)8-3-2-7(13)5-9(8)14/h2-3,5H,4H2,1H3,(H,15,16,17,19)
InChIKeyRRDMYRMJDPNUOQ-UHFFFAOYSA-N
MW330.20 g/mol
LogP3.23
Rot. Bonds4

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

2,4-dichloro-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]benzamide (PubChem CID 2107779) has the molecular formula C12H9Cl2N3O2S and a molecular weight of 330.20 g/mol. Its IUPAC name is 2,4-dichloro-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]benzamide
PubChem CID2107779
Molecular FormulaC12H9Cl2N3O2S
Molecular Weight330.20 g/mol
Exact Mass328.98
IUPAC Name2,4-dichloro-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]benzamide
SMILESCC(=O)Cc1nsc(NC(=O)c2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C12H9Cl2N3O2S/c1-6(18)4-10-15-12(20-17-10)16-11(19)8-3-2-7(13)5-9(8)14/h2-3,5H,4H2,1H3,(H,15,16,17,19)
InChIKeyRRDMYRMJDPNUOQ-UHFFFAOYSA-N
XLogP3.23
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.20
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]benzamide?
The IUPAC name of 2,4-dichloro-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]benzamide (CID 2107779) is 2,4-dichloro-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]benzamide is CC(=O)Cc1nsc(NC(=O)c2ccc(Cl)cc2Cl)n1.
What is the InChIKey of 2,4-dichloro-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]benzamide?
The InChIKey is RRDMYRMJDPNUOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2N3O2S/c1-6(18)4-10-15-12(20-17-10)16-11(19)8-3-2-7(13)5-9(8)14/h2-3,5H,4H2,1H3,(H,15,16,17,19).
What are the key properties of 2,4-dichloro-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]benzamide?
2,4-dichloro-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]benzamide has a molecular weight of 330.20 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]benzamide is sourced from PubChem (CID 2107779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).