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

C12H17N7O2S — CID 45495969

IUPACN-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-1-(tetrazol-1-yl)cyclohexane-1-carboxamide
SMILESCOCc1nnc(NC(=O)C2(n3cnnn3)CCCCC2)s1
InChIInChI=1S/C12H17N7O2S/c1-21-7-9-15-16-11(22-9)14-10(20)12(5-3-2-4-6-12)19-8-13-17-18-19/h8H,2-7H2,1H3,(H,14,16,20)
InChIKeyYSVDDKQOXKTPKT-UHFFFAOYSA-N
MW323.38 g/mol
LogP0.97
Rot. Bonds5

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

N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-1-(tetrazol-1-yl)cyclohexane-1-carboxamide (PubChem CID 45495969) has the molecular formula C12H17N7O2S and a molecular weight of 323.38 g/mol. Its IUPAC name is N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-1-(tetrazol-1-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-1-(tetrazol-1-yl)cyclohexane-1-carboxamide
PubChem CID45495969
Molecular FormulaC12H17N7O2S
Molecular Weight323.38 g/mol
Exact Mass323.12
IUPAC NameN-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-1-(tetrazol-1-yl)cyclohexane-1-carboxamide
SMILESCOCc1nnc(NC(=O)C2(n3cnnn3)CCCCC2)s1
InChIInChI=1S/C12H17N7O2S/c1-21-7-9-15-16-11(22-9)14-10(20)12(5-3-2-4-6-12)19-8-13-17-18-19/h8H,2-7H2,1H3,(H,14,16,20)
InChIKeyYSVDDKQOXKTPKT-UHFFFAOYSA-N
XLogP0.97
TPSA107.71 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.38
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-1-(tetrazol-1-yl)cyclohexane-1-carboxamide?
The IUPAC name of N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-1-(tetrazol-1-yl)cyclohexane-1-carboxamide (CID 45495969) is N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-1-(tetrazol-1-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-1-(tetrazol-1-yl)cyclohexane-1-carboxamide?
The canonical SMILES for N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-1-(tetrazol-1-yl)cyclohexane-1-carboxamide is COCc1nnc(NC(=O)C2(n3cnnn3)CCCCC2)s1.
What is the InChIKey of N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-1-(tetrazol-1-yl)cyclohexane-1-carboxamide?
The InChIKey is YSVDDKQOXKTPKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N7O2S/c1-21-7-9-15-16-11(22-9)14-10(20)12(5-3-2-4-6-12)19-8-13-17-18-19/h8H,2-7H2,1H3,(H,14,16,20).
What are the key properties of N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-1-(tetrazol-1-yl)cyclohexane-1-carboxamide?
N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-1-(tetrazol-1-yl)cyclohexane-1-carboxamide has a molecular weight of 323.38 g/mol, XLogP of 0.97, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-1-(tetrazol-1-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 45495969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).