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

C13H11N7OS — CID 29411630

IUPACN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-(tetrazol-1-yl)benzamide
SMILESO=C(Nc1nnc(C2CC2)s1)c1ccc(-n2cnnn2)cc1
InChIInChI=1S/C13H11N7OS/c21-11(15-13-17-16-12(22-13)9-1-2-9)8-3-5-10(6-4-8)20-7-14-18-19-20/h3-7,9H,1-2H2,(H,15,17,21)
InChIKeyFDNSSUSRZCZGML-UHFFFAOYSA-N
MW313.35 g/mol
LogP1.64
Rot. Bonds4

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

N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-(tetrazol-1-yl)benzamide (PubChem CID 29411630) has the molecular formula C13H11N7OS and a molecular weight of 313.35 g/mol. Its IUPAC name is N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-(tetrazol-1-yl)benzamide
PubChem CID29411630
Molecular FormulaC13H11N7OS
Molecular Weight313.35 g/mol
Exact Mass313.07
IUPAC NameN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-(tetrazol-1-yl)benzamide
SMILESO=C(Nc1nnc(C2CC2)s1)c1ccc(-n2cnnn2)cc1
InChIInChI=1S/C13H11N7OS/c21-11(15-13-17-16-12(22-13)9-1-2-9)8-3-5-10(6-4-8)20-7-14-18-19-20/h3-7,9H,1-2H2,(H,15,17,21)
InChIKeyFDNSSUSRZCZGML-UHFFFAOYSA-N
XLogP1.64
TPSA98.48 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-(carbamoylamino)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)benzamide
CID 78770285
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-methylsulfanylbenzamide
CID 18189556
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-phenylpyrazole-4-carboxamide
CID 24647526
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3,4-dimethyl-2-(tetrazol-1-yl)benzamide
CID 56763137
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1,3-benzodioxole-5-carboxamide
CID 735968
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-methoxybenzamide
CID 803244
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-6-(dimethylamino)pyridine-3-carboxamide
CID 78859395
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-pentoxybenzamide
CID 4501787
4-(tetrazol-1-yl)benzohydrazide
CID 2114009
4-(tetrazol-1-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide
CID 51149957
5-fluoro-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]-2-(tetrazol-1-yl)benzamide
CID 51054659
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 18141584

Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-(tetrazol-1-yl)benzamide?
The IUPAC name of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-(tetrazol-1-yl)benzamide (CID 29411630) is N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-(tetrazol-1-yl)benzamide is O=C(Nc1nnc(C2CC2)s1)c1ccc(-n2cnnn2)cc1.
What is the InChIKey of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-(tetrazol-1-yl)benzamide?
The InChIKey is FDNSSUSRZCZGML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N7OS/c21-11(15-13-17-16-12(22-13)9-1-2-9)8-3-5-10(6-4-8)20-7-14-18-19-20/h3-7,9H,1-2H2,(H,15,17,21).
What are the key properties of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-(tetrazol-1-yl)benzamide?
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-(tetrazol-1-yl)benzamide has a molecular weight of 313.35 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 29411630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).