1-(cyclohex-3-en-1-ylmethyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)tetrazol-5-amine

C13H18N6S — CID 167861405

IUPAC1-(cyclohex-3-en-1-ylmethyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)tetrazol-5-amine
SMILESCN(Cc1cscn1)c1nnnn1CC1CC=CCC1
InChIInChI=1S/C13H18N6S/c1-18(8-12-9-20-10-14-12)13-15-16-17-19(13)7-11-5-3-2-4-6-11/h2-3,9-11H,4-8H2,1H3
InChIKeyXIACTKMKOXYTCI-UHFFFAOYSA-N
MW290.40 g/mol
LogP2.12
Rot. Bonds5

About 1-(cyclohex-3-en-1-ylmethyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)tetrazol-5-amine

1-(cyclohex-3-en-1-ylmethyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)tetrazol-5-amine (PubChem CID 167861405) has the molecular formula C13H18N6S and a molecular weight of 290.40 g/mol. Its IUPAC name is 1-(cyclohex-3-en-1-ylmethyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)tetrazol-5-amine.

Molecular Properties

Compound Name1-(cyclohex-3-en-1-ylmethyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)tetrazol-5-amine
PubChem CID167861405
Molecular FormulaC13H18N6S
Molecular Weight290.40 g/mol
Exact Mass290.13
IUPAC Name1-(cyclohex-3-en-1-ylmethyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)tetrazol-5-amine
SMILESCN(Cc1cscn1)c1nnnn1CC1CC=CCC1
InChIInChI=1S/C13H18N6S/c1-18(8-12-9-20-10-14-12)13-15-16-17-19(13)7-11-5-3-2-4-6-11/h2-3,9-11H,4-8H2,1H3
InChIKeyXIACTKMKOXYTCI-UHFFFAOYSA-N
XLogP2.12
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.40
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohex-3-en-1-ylmethyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)tetrazol-5-amine?
The IUPAC name of 1-(cyclohex-3-en-1-ylmethyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)tetrazol-5-amine (CID 167861405) is 1-(cyclohex-3-en-1-ylmethyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)tetrazol-5-amine.
What is the SMILES notation for 1-(cyclohex-3-en-1-ylmethyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)tetrazol-5-amine?
The canonical SMILES for 1-(cyclohex-3-en-1-ylmethyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)tetrazol-5-amine is CN(Cc1cscn1)c1nnnn1CC1CC=CCC1.
What is the InChIKey of 1-(cyclohex-3-en-1-ylmethyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)tetrazol-5-amine?
The InChIKey is XIACTKMKOXYTCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6S/c1-18(8-12-9-20-10-14-12)13-15-16-17-19(13)7-11-5-3-2-4-6-11/h2-3,9-11H,4-8H2,1H3.
What are the key properties of 1-(cyclohex-3-en-1-ylmethyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)tetrazol-5-amine?
1-(cyclohex-3-en-1-ylmethyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)tetrazol-5-amine has a molecular weight of 290.40 g/mol, XLogP of 2.12, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohex-3-en-1-ylmethyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)tetrazol-5-amine is sourced from PubChem (CID 167861405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).