N-(cyclohex-3-en-1-ylmethyl)thiadiazol-5-amine

C9H13N3S — CID 107234317

IUPACN-(cyclohex-3-en-1-ylmethyl)thiadiazol-5-amine
SMILESC1=CCC(CNc2cnns2)CC1
InChIInChI=1S/C9H13N3S/c1-2-4-8(5-3-1)6-10-9-7-11-12-13-9/h1-2,7-8,10H,3-6H2
InChIKeyIGQRPLWVKCEQPZ-UHFFFAOYSA-N
MW195.29 g/mol
LogP2.31
Rot. Bonds3

About N-(cyclohex-3-en-1-ylmethyl)thiadiazol-5-amine

N-(cyclohex-3-en-1-ylmethyl)thiadiazol-5-amine (PubChem CID 107234317) has the molecular formula C9H13N3S and a molecular weight of 195.29 g/mol. Its IUPAC name is N-(cyclohex-3-en-1-ylmethyl)thiadiazol-5-amine.

Molecular Properties

Compound NameN-(cyclohex-3-en-1-ylmethyl)thiadiazol-5-amine
PubChem CID107234317
Molecular FormulaC9H13N3S
Molecular Weight195.29 g/mol
Exact Mass195.08
IUPAC NameN-(cyclohex-3-en-1-ylmethyl)thiadiazol-5-amine
SMILESC1=CCC(CNc2cnns2)CC1
InChIInChI=1S/C9H13N3S/c1-2-4-8(5-3-1)6-10-9-7-11-12-13-9/h1-2,7-8,10H,3-6H2
InChIKeyIGQRPLWVKCEQPZ-UHFFFAOYSA-N
XLogP2.31
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.29
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-N-(cyclohex-3-en-1-ylmethyl)-1,3-thiazol-2-amine
CID 130641123
N-(cyclohex-3-en-1-ylmethyl)-1,3-thiazol-2-amine
CID 78976841
N-(cyclohex-3-en-1-ylmethyl)-4,6-dimethylpyridin-2-amine
CID 115757230
5-bromo-N-(cyclohex-3-en-1-ylmethyl)pyrimidin-4-amine
CID 66320647
N-[(1-methylpiperidin-2-yl)methyl]thiadiazol-5-amine
CID 107649338
N-[[(1S)-cyclohex-3-en-1-yl]methyl]-1-ethylpyrazol-4-amine
CID 93112105
2,6-dibromo-N-(cyclohex-3-en-1-ylmethyl)aniline
CID 107597677
N-[[(1R)-cyclohex-3-en-1-yl]methyl]-3,5-dimethoxyaniline
CID 28614317
4-bromo-N-(cyclohex-3-en-1-ylmethyl)-2,6-difluoroaniline
CID 65470058
N-(cyclohex-3-en-1-ylmethyl)oxetan-3-amine
CID 63624037
2-[[(1R)-cyclohex-3-en-1-yl]methylamino]-1,4,5,6-tetrahydropyrimidin-5-ol
CID 125422242
N-(cyclohex-3-en-1-ylmethyl)-2-methylsulfanylaniline
CID 43683283

Frequently Asked Questions

What is the IUPAC name of N-(cyclohex-3-en-1-ylmethyl)thiadiazol-5-amine?
The IUPAC name of N-(cyclohex-3-en-1-ylmethyl)thiadiazol-5-amine (CID 107234317) is N-(cyclohex-3-en-1-ylmethyl)thiadiazol-5-amine.
What is the SMILES notation for N-(cyclohex-3-en-1-ylmethyl)thiadiazol-5-amine?
The canonical SMILES for N-(cyclohex-3-en-1-ylmethyl)thiadiazol-5-amine is C1=CCC(CNc2cnns2)CC1.
What is the InChIKey of N-(cyclohex-3-en-1-ylmethyl)thiadiazol-5-amine?
The InChIKey is IGQRPLWVKCEQPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3S/c1-2-4-8(5-3-1)6-10-9-7-11-12-13-9/h1-2,7-8,10H,3-6H2.
What are the key properties of N-(cyclohex-3-en-1-ylmethyl)thiadiazol-5-amine?
N-(cyclohex-3-en-1-ylmethyl)thiadiazol-5-amine has a molecular weight of 195.29 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohex-3-en-1-ylmethyl)thiadiazol-5-amine is sourced from PubChem (CID 107234317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).