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

C10H13N7OS — CID 45490981

IUPAC1-(tetrazol-1-yl)-N-(1,3,4-thiadiazol-2-yl)cyclohexane-1-carboxamide
SMILESO=C(Nc1nncs1)C1(n2cnnn2)CCCCC1
InChIInChI=1S/C10H13N7OS/c18-8(13-9-14-12-7-19-9)10(4-2-1-3-5-10)17-6-11-15-16-17/h6-7H,1-5H2,(H,13,14,18)
InChIKeyMWRIISRWICQYMA-UHFFFAOYSA-N
MW279.33 g/mol
LogP0.82
Rot. Bonds3

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

1-(tetrazol-1-yl)-N-(1,3,4-thiadiazol-2-yl)cyclohexane-1-carboxamide (PubChem CID 45490981) has the molecular formula C10H13N7OS and a molecular weight of 279.33 g/mol. Its IUPAC name is 1-(tetrazol-1-yl)-N-(1,3,4-thiadiazol-2-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(tetrazol-1-yl)-N-(1,3,4-thiadiazol-2-yl)cyclohexane-1-carboxamide
PubChem CID45490981
Molecular FormulaC10H13N7OS
Molecular Weight279.33 g/mol
Exact Mass279.09
IUPAC Name1-(tetrazol-1-yl)-N-(1,3,4-thiadiazol-2-yl)cyclohexane-1-carboxamide
SMILESO=C(Nc1nncs1)C1(n2cnnn2)CCCCC1
InChIInChI=1S/C10H13N7OS/c18-8(13-9-14-12-7-19-9)10(4-2-1-3-5-10)17-6-11-15-16-17/h6-7H,1-5H2,(H,13,14,18)
InChIKeyMWRIISRWICQYMA-UHFFFAOYSA-N
XLogP0.82
TPSA98.48 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.33
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-(tetrazol-1-yl)-N-(1,3,4-thiadiazol-2-yl)cyclohexane-1-carboxamide?
The IUPAC name of 1-(tetrazol-1-yl)-N-(1,3,4-thiadiazol-2-yl)cyclohexane-1-carboxamide (CID 45490981) is 1-(tetrazol-1-yl)-N-(1,3,4-thiadiazol-2-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-(tetrazol-1-yl)-N-(1,3,4-thiadiazol-2-yl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-(tetrazol-1-yl)-N-(1,3,4-thiadiazol-2-yl)cyclohexane-1-carboxamide is O=C(Nc1nncs1)C1(n2cnnn2)CCCCC1.
What is the InChIKey of 1-(tetrazol-1-yl)-N-(1,3,4-thiadiazol-2-yl)cyclohexane-1-carboxamide?
The InChIKey is MWRIISRWICQYMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N7OS/c18-8(13-9-14-12-7-19-9)10(4-2-1-3-5-10)17-6-11-15-16-17/h6-7H,1-5H2,(H,13,14,18).
What are the key properties of 1-(tetrazol-1-yl)-N-(1,3,4-thiadiazol-2-yl)cyclohexane-1-carboxamide?
1-(tetrazol-1-yl)-N-(1,3,4-thiadiazol-2-yl)cyclohexane-1-carboxamide has a molecular weight of 279.33 g/mol, XLogP of 0.82, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(tetrazol-1-yl)-N-(1,3,4-thiadiazol-2-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 45490981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).