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

C12H13N3OS — CID 677143

IUPACN-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCCCc1nnc(NC(=O)c2ccccc2)s1
InChIInChI=1S/C12H13N3OS/c1-2-6-10-14-15-12(17-10)13-11(16)9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3,(H,13,15,16)
InChIKeyWTCLSLCSWOLOEI-UHFFFAOYSA-N
MW247.32 g/mol
LogP2.74
Rot. Bonds4

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

N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 677143) has the molecular formula C12H13N3OS and a molecular weight of 247.32 g/mol. Its IUPAC name is N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound NameN-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
PubChem CID677143
Molecular FormulaC12H13N3OS
Molecular Weight247.32 g/mol
Exact Mass247.08
IUPAC NameN-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCCCc1nnc(NC(=O)c2ccccc2)s1
InChIInChI=1S/C12H13N3OS/c1-2-6-10-14-15-12(17-10)13-11(16)9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3,(H,13,15,16)
InChIKeyWTCLSLCSWOLOEI-UHFFFAOYSA-N
XLogP2.74
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 9109769
3-(5-benzamido-1,3,4-thiadiazol-2-yl)propanoic acid
CID 82058157
4-methoxy-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 825355
N-(5-propyl-1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide
CID 717037
N-[(1R)-3-oxo-1-phenyl-3-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]propyl]benzamide
CID 1341172
N-[5-(2-phenoxyethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 71946201
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-phenylbenzamide
CID 745401
4-(difluoromethoxy)-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 9109400
3-(methanesulfonamido)-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 34111874
3,4-dimethoxy-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 811235
N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-fluorobenzamide
CID 7747528
1-methyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)pyrazole-4-carboxamide
CID 110484349

Frequently Asked Questions

What is the IUPAC name of N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide (CID 677143) is N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide is CCCc1nnc(NC(=O)c2ccccc2)s1.
What is the InChIKey of N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is WTCLSLCSWOLOEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3OS/c1-2-6-10-14-15-12(17-10)13-11(16)9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3,(H,13,15,16).
What are the key properties of N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide?
N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 247.32 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 677143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).