N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-(tetrazol-1-yl)cyclohexane-1-carboxamide

C11H15N7OS — CID 45495106

IUPACN-(5-methyl-1,3,4-thiadiazol-2-yl)-1-(tetrazol-1-yl)cyclohexane-1-carboxamide
SMILESCc1nnc(NC(=O)C2(n3cnnn3)CCCCC2)s1
InChIInChI=1S/C11H15N7OS/c1-8-14-15-10(20-8)13-9(19)11(5-3-2-4-6-11)18-7-12-16-17-18/h7H,2-6H2,1H3,(H,13,15,19)
InChIKeyNBTFBJSVZGCAJM-UHFFFAOYSA-N
MW293.36 g/mol
LogP1.13
Rot. Bonds3

About N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-(tetrazol-1-yl)cyclohexane-1-carboxamide

N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-(tetrazol-1-yl)cyclohexane-1-carboxamide (PubChem CID 45495106) has the molecular formula C11H15N7OS and a molecular weight of 293.36 g/mol. Its IUPAC name is N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-(tetrazol-1-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-1,3,4-thiadiazol-2-yl)-1-(tetrazol-1-yl)cyclohexane-1-carboxamide
PubChem CID45495106
Molecular FormulaC11H15N7OS
Molecular Weight293.36 g/mol
Exact Mass293.11
IUPAC NameN-(5-methyl-1,3,4-thiadiazol-2-yl)-1-(tetrazol-1-yl)cyclohexane-1-carboxamide
SMILESCc1nnc(NC(=O)C2(n3cnnn3)CCCCC2)s1
InChIInChI=1S/C11H15N7OS/c1-8-14-15-10(20-8)13-9(19)11(5-3-2-4-6-11)18-7-12-16-17-18/h7H,2-6H2,1H3,(H,13,15,19)
InChIKeyNBTFBJSVZGCAJM-UHFFFAOYSA-N
XLogP1.13
TPSA98.48 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-(tetrazol-1-yl)cyclohexane-1-carboxamide?
The IUPAC name of N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-(tetrazol-1-yl)cyclohexane-1-carboxamide (CID 45495106) is N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-(tetrazol-1-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-(tetrazol-1-yl)cyclohexane-1-carboxamide?
The canonical SMILES for N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-(tetrazol-1-yl)cyclohexane-1-carboxamide is Cc1nnc(NC(=O)C2(n3cnnn3)CCCCC2)s1.
What is the InChIKey of N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-(tetrazol-1-yl)cyclohexane-1-carboxamide?
The InChIKey is NBTFBJSVZGCAJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N7OS/c1-8-14-15-10(20-8)13-9(19)11(5-3-2-4-6-11)18-7-12-16-17-18/h7H,2-6H2,1H3,(H,13,15,19).
What are the key properties of N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-(tetrazol-1-yl)cyclohexane-1-carboxamide?
N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-(tetrazol-1-yl)cyclohexane-1-carboxamide has a molecular weight of 293.36 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-(tetrazol-1-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 45495106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).