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

C15H15N7OS — CID 53367719

IUPACN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3,4-dimethyl-2-(tetrazol-1-yl)benzamide
SMILESCc1ccc(C(=O)Nc2nnc(C3CC3)s2)c(-n2cnnn2)c1C
InChIInChI=1S/C15H15N7OS/c1-8-3-6-11(12(9(8)2)22-7-16-20-21-22)13(23)17-15-19-18-14(24-15)10-4-5-10/h3,6-7,10H,4-5H2,1-2H3,(H,17,19,23)
InChIKeyJAHOHQUIPNCXEE-UHFFFAOYSA-N
MW341.40 g/mol
LogP2.26
Rot. Bonds4

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

N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3,4-dimethyl-2-(tetrazol-1-yl)benzamide (PubChem CID 53367719) has the molecular formula C15H15N7OS and a molecular weight of 341.40 g/mol. Its IUPAC name is N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3,4-dimethyl-2-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3,4-dimethyl-2-(tetrazol-1-yl)benzamide
PubChem CID53367719
Molecular FormulaC15H15N7OS
Molecular Weight341.40 g/mol
Exact Mass341.11
IUPAC NameN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3,4-dimethyl-2-(tetrazol-1-yl)benzamide
SMILESCc1ccc(C(=O)Nc2nnc(C3CC3)s2)c(-n2cnnn2)c1C
InChIInChI=1S/C15H15N7OS/c1-8-3-6-11(12(9(8)2)22-7-16-20-21-22)13(23)17-15-19-18-14(24-15)10-4-5-10/h3,6-7,10H,4-5H2,1-2H3,(H,17,19,23)
InChIKeyJAHOHQUIPNCXEE-UHFFFAOYSA-N
XLogP2.26
TPSA98.48 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.40
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3,4-dimethyl-2-(tetrazol-1-yl)benzamide?
The IUPAC name of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3,4-dimethyl-2-(tetrazol-1-yl)benzamide (CID 53367719) is N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3,4-dimethyl-2-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3,4-dimethyl-2-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3,4-dimethyl-2-(tetrazol-1-yl)benzamide is Cc1ccc(C(=O)Nc2nnc(C3CC3)s2)c(-n2cnnn2)c1C.
What is the InChIKey of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3,4-dimethyl-2-(tetrazol-1-yl)benzamide?
The InChIKey is JAHOHQUIPNCXEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N7OS/c1-8-3-6-11(12(9(8)2)22-7-16-20-21-22)13(23)17-15-19-18-14(24-15)10-4-5-10/h3,6-7,10H,4-5H2,1-2H3,(H,17,19,23).
What are the key properties of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3,4-dimethyl-2-(tetrazol-1-yl)benzamide?
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3,4-dimethyl-2-(tetrazol-1-yl)benzamide has a molecular weight of 341.40 g/mol, XLogP of 2.26, 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)-3,4-dimethyl-2-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 53367719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).