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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(1S)-cyclohex-3-en-1-yl]-N-methyl-N-(1,3-thiazol-4-ylmethyl)methanamine
CID 124568392
3-(cyclohex-3-en-1-ylmethyl)-9-methoxy-N-methyl-7-oxo-N-(1,3-thiazol-4-ylmethyl)-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxamide
CID 126464955
3-N-(cyclohex-3-en-1-ylmethyl)-2-N,2-N,3-N-trimethylpyrazine-2,3-diamine
CID 133475752
N-cycloheptyl-N'-methyl-N'-(1,3-thiazol-4-ylmethyl)ethane-1,2-diamine
CID 62575304
6-[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 55013273
N-cyclopropyl-N'-methyl-N'-(1,3-thiazol-4-ylmethyl)pentane-1,5-diamine
CID 62427015
N-methyl-2-(methylaminomethyl)-N-(1,3-thiazol-4-ylmethyl)cyclobutan-1-amine
CID 80999518
trans-(1R,2R)-2-[methyl(1,3-thiazol-4-ylmethyl)amino]cyclopentan-1-ol
CID 102734625
4-[methyl(1,3-thiazol-4-ylmethyl)amino]cyclohexan-1-one
CID 79120259
5-iodo-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyrimidin-2-amine
CID 104841516
4-iodo-N-methyl-N-(1,3-thiazol-4-ylmethyl)aniline
CID 91268064
1-cyclohex-3-en-1-yl-N,N-dimethylmethanamine;ethane
CID 177009709

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).