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

C13H19N7OS — CID 45493855

IUPACN-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1-(tetrazol-1-yl)cyclohexane-1-carboxamide
SMILESCC(C)c1nnc(NC(=O)C2(n3cnnn3)CCCCC2)s1
InChIInChI=1S/C13H19N7OS/c1-9(2)10-16-17-12(22-10)15-11(21)13(6-4-3-5-7-13)20-8-14-18-19-20/h8-9H,3-7H2,1-2H3,(H,15,17,21)
InChIKeySNNYUYAXBVZSAB-UHFFFAOYSA-N
MW321.41 g/mol
LogP1.95
Rot. Bonds4

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

N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1-(tetrazol-1-yl)cyclohexane-1-carboxamide (PubChem CID 45493855) has the molecular formula C13H19N7OS and a molecular weight of 321.41 g/mol. Its IUPAC name is N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1-(tetrazol-1-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1-(tetrazol-1-yl)cyclohexane-1-carboxamide
PubChem CID45493855
Molecular FormulaC13H19N7OS
Molecular Weight321.41 g/mol
Exact Mass321.14
IUPAC NameN-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1-(tetrazol-1-yl)cyclohexane-1-carboxamide
SMILESCC(C)c1nnc(NC(=O)C2(n3cnnn3)CCCCC2)s1
InChIInChI=1S/C13H19N7OS/c1-9(2)10-16-17-12(22-10)15-11(21)13(6-4-3-5-7-13)20-8-14-18-19-20/h8-9H,3-7H2,1-2H3,(H,15,17,21)
InChIKeySNNYUYAXBVZSAB-UHFFFAOYSA-N
XLogP1.95
TPSA98.48 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.41
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1-(tetrazol-1-yl)cyclohexane-1-carboxamide?
The IUPAC name of N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1-(tetrazol-1-yl)cyclohexane-1-carboxamide (CID 45493855) is N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1-(tetrazol-1-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1-(tetrazol-1-yl)cyclohexane-1-carboxamide?
The canonical SMILES for N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1-(tetrazol-1-yl)cyclohexane-1-carboxamide is CC(C)c1nnc(NC(=O)C2(n3cnnn3)CCCCC2)s1.
What is the InChIKey of N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1-(tetrazol-1-yl)cyclohexane-1-carboxamide?
The InChIKey is SNNYUYAXBVZSAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N7OS/c1-9(2)10-16-17-12(22-10)15-11(21)13(6-4-3-5-7-13)20-8-14-18-19-20/h8-9H,3-7H2,1-2H3,(H,15,17,21).
What are the key properties of N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1-(tetrazol-1-yl)cyclohexane-1-carboxamide?
N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1-(tetrazol-1-yl)cyclohexane-1-carboxamide has a molecular weight of 321.41 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1-(tetrazol-1-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 45493855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).