N-cyclohex-3-en-1-yl-5-methyl-1,3,4-thiadiazol-2-amine

C9H13N3S — CID 64982801

IUPACN-cyclohex-3-en-1-yl-5-methyl-1,3,4-thiadiazol-2-amine
SMILESCc1nnc(NC2CC=CCC2)s1
InChIInChI=1S/C9H13N3S/c1-7-11-12-9(13-7)10-8-5-3-2-4-6-8/h2-3,8H,4-6H2,1H3,(H,10,12)
InChIKeyFNWYMYHAKKLNEG-UHFFFAOYSA-N
MW195.29 g/mol
LogP2.37
Rot. Bonds2

About N-cyclohex-3-en-1-yl-5-methyl-1,3,4-thiadiazol-2-amine

N-cyclohex-3-en-1-yl-5-methyl-1,3,4-thiadiazol-2-amine (PubChem CID 64982801) has the molecular formula C9H13N3S and a molecular weight of 195.29 g/mol. Its IUPAC name is N-cyclohex-3-en-1-yl-5-methyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-cyclohex-3-en-1-yl-5-methyl-1,3,4-thiadiazol-2-amine
PubChem CID64982801
Molecular FormulaC9H13N3S
Molecular Weight195.29 g/mol
Exact Mass195.08
IUPAC NameN-cyclohex-3-en-1-yl-5-methyl-1,3,4-thiadiazol-2-amine
SMILESCc1nnc(NC2CC=CCC2)s1
InChIInChI=1S/C9H13N3S/c1-7-11-12-9(13-7)10-8-5-3-2-4-6-8/h2-3,8H,4-6H2,1H3,(H,10,12)
InChIKeyFNWYMYHAKKLNEG-UHFFFAOYSA-N
XLogP2.37
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.29
LogP ≤ 52.37
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

N-[(E)-pent-3-enyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 114448565
N-cyclohex-3-en-1-yl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 114448591
N-cyclopent-3-en-1-yl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 114448746
N-pent-4-en-2-yl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 114449764
N-cyclopent-3-en-1-yl-5-(difluoromethyl)-1,3,4-thiadiazol-2-amine
CID 130163462
N-[2-(cyclohexen-1-yl)ethyl]-5-methyl-1,3,4-thiadiazol-2-amine
CID 64982575
N-cyclopent-3-en-1-yl-5-propyl-1,3,4-thiadiazol-2-amine
CID 71848178
N-[2-(cyclopenten-1-yl)ethyl]-5-methyl-1,3,4-thiadiazol-2-amine
CID 103844163
N-hex-5-en-2-yl-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
CID 106260155
N-(cyclohex-3-en-1-ylmethyl)-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
CID 106260933
5-methyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]-1,3,4-thiadiazol-2-amine
CID 107489146
5-ethyl-N-hex-5-en-2-yl-1,3,4-thiadiazol-2-amine
CID 107647633

Frequently Asked Questions

What is the IUPAC name of N-cyclohex-3-en-1-yl-5-methyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-cyclohex-3-en-1-yl-5-methyl-1,3,4-thiadiazol-2-amine (CID 64982801) is N-cyclohex-3-en-1-yl-5-methyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-cyclohex-3-en-1-yl-5-methyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-cyclohex-3-en-1-yl-5-methyl-1,3,4-thiadiazol-2-amine is Cc1nnc(NC2CC=CCC2)s1.
What is the InChIKey of N-cyclohex-3-en-1-yl-5-methyl-1,3,4-thiadiazol-2-amine?
The InChIKey is FNWYMYHAKKLNEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3S/c1-7-11-12-9(13-7)10-8-5-3-2-4-6-8/h2-3,8H,4-6H2,1H3,(H,10,12).
What are the key properties of N-cyclohex-3-en-1-yl-5-methyl-1,3,4-thiadiazol-2-amine?
N-cyclohex-3-en-1-yl-5-methyl-1,3,4-thiadiazol-2-amine has a molecular weight of 195.29 g/mol, XLogP of 2.37, 2 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-yl-5-methyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 64982801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).