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

C12H11N3O2S — CID 866934

IUPACN-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]benzamide
SMILESCC(=O)Cc1nsc(NC(=O)c2ccccc2)n1
InChIInChI=1S/C12H11N3O2S/c1-8(16)7-10-13-12(18-15-10)14-11(17)9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,13,14,15,17)
InChIKeyDLMNQQBXDYRYHX-UHFFFAOYSA-N
MW261.31 g/mol
LogP1.92
Rot. Bonds4

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

N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]benzamide (PubChem CID 866934) has the molecular formula C12H11N3O2S and a molecular weight of 261.31 g/mol. Its IUPAC name is N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]benzamide.

Molecular Properties

Compound NameN-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]benzamide
PubChem CID866934
Molecular FormulaC12H11N3O2S
Molecular Weight261.31 g/mol
Exact Mass261.06
IUPAC NameN-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]benzamide
SMILESCC(=O)Cc1nsc(NC(=O)c2ccccc2)n1
InChIInChI=1S/C12H11N3O2S/c1-8(16)7-10-13-12(18-15-10)14-11(17)9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,13,14,15,17)
InChIKeyDLMNQQBXDYRYHX-UHFFFAOYSA-N
XLogP1.92
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.31
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-Phenyl-(1,2,4)thiadiazol-5-yl)-benzamide
CID 2241548
2,4-dichloro-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]benzamide
CID 2107779
N-(3-phenyl-1,2,4-thiadiazol-5-yl)acetamide
CID 852344
3-fluoro-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]benzamide
CID 2134770
N-(3-phenyl-1,2,4-thiadiazol-5-yl)propanamide
CID 852345
2,2-dimethyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)propanamide
CID 4182197
2-methyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)propanamide
CID 4182320
4-fluoro-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]benzamide
CID 752027
2-chloro-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]benzamide
CID 2134766
2-fluoro-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]benzamide
CID 2134769
4-methyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)benzamide
CID 2241546
N-(5-amino-1,2,4-thiadiazol-3-yl)-4-fluorobenzamide
CID 3717918

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]benzamide?
The IUPAC name of N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]benzamide (CID 866934) is N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]benzamide.
What is the SMILES notation for N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]benzamide?
The canonical SMILES for N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]benzamide is CC(=O)Cc1nsc(NC(=O)c2ccccc2)n1.
What is the InChIKey of N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]benzamide?
The InChIKey is DLMNQQBXDYRYHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O2S/c1-8(16)7-10-13-12(18-15-10)14-11(17)9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,13,14,15,17).
What are the key properties of N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]benzamide?
N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]benzamide has a molecular weight of 261.31 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]benzamide is sourced from PubChem (CID 866934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).