N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]-1-(tetrazol-1-yl)cyclohexane-1-carboxamide

C14H19N7O2S — CID 45491316

IUPACN-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]-1-(tetrazol-1-yl)cyclohexane-1-carboxamide
SMILESO=C(Nc1nnc(C2CCCO2)s1)C1(n2cnnn2)CCCCC1
InChIInChI=1S/C14H19N7O2S/c22-12(14(6-2-1-3-7-14)21-9-15-19-20-21)16-13-18-17-11(24-13)10-5-4-8-23-10/h9-10H,1-8H2,(H,16,18,22)
InChIKeyWLAIQZPZASCQEL-UHFFFAOYSA-N
MW349.42 g/mol
LogP1.67
Rot. Bonds4

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

N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]-1-(tetrazol-1-yl)cyclohexane-1-carboxamide (PubChem CID 45491316) has the molecular formula C14H19N7O2S and a molecular weight of 349.42 g/mol. Its IUPAC name is N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]-1-(tetrazol-1-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]-1-(tetrazol-1-yl)cyclohexane-1-carboxamide
PubChem CID45491316
Molecular FormulaC14H19N7O2S
Molecular Weight349.42 g/mol
Exact Mass349.13
IUPAC NameN-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]-1-(tetrazol-1-yl)cyclohexane-1-carboxamide
SMILESO=C(Nc1nnc(C2CCCO2)s1)C1(n2cnnn2)CCCCC1
InChIInChI=1S/C14H19N7O2S/c22-12(14(6-2-1-3-7-14)21-9-15-19-20-21)16-13-18-17-11(24-13)10-5-4-8-23-10/h9-10H,1-8H2,(H,16,18,22)
InChIKeyWLAIQZPZASCQEL-UHFFFAOYSA-N
XLogP1.67
TPSA107.71 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.42
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]-1-(tetrazol-1-yl)cyclohexane-1-carboxamide?
The IUPAC name of N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]-1-(tetrazol-1-yl)cyclohexane-1-carboxamide (CID 45491316) is N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]-1-(tetrazol-1-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]-1-(tetrazol-1-yl)cyclohexane-1-carboxamide?
The canonical SMILES for N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]-1-(tetrazol-1-yl)cyclohexane-1-carboxamide is O=C(Nc1nnc(C2CCCO2)s1)C1(n2cnnn2)CCCCC1.
What is the InChIKey of N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]-1-(tetrazol-1-yl)cyclohexane-1-carboxamide?
The InChIKey is WLAIQZPZASCQEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N7O2S/c22-12(14(6-2-1-3-7-14)21-9-15-19-20-21)16-13-18-17-11(24-13)10-5-4-8-23-10/h9-10H,1-8H2,(H,16,18,22).
What are the key properties of N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]-1-(tetrazol-1-yl)cyclohexane-1-carboxamide?
N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]-1-(tetrazol-1-yl)cyclohexane-1-carboxamide has a molecular weight of 349.42 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]-1-(tetrazol-1-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 45491316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).