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

C9H15N3S — CID 107648232

IUPACN-hex-5-en-2-yl-5-methyl-1,3,4-thiadiazol-2-amine
SMILESC=CCCC(C)Nc1nnc(C)s1
InChIInChI=1S/C9H15N3S/c1-4-5-6-7(2)10-9-12-11-8(3)13-9/h4,7H,1,5-6H2,2-3H3,(H,10,12)
InChIKeyKJYUYORUHXEZRD-UHFFFAOYSA-N
MW197.31 g/mol
LogP2.61
Rot. Bonds5

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

N-hex-5-en-2-yl-5-methyl-1,3,4-thiadiazol-2-amine (PubChem CID 107648232) has the molecular formula C9H15N3S and a molecular weight of 197.31 g/mol. Its IUPAC name is N-hex-5-en-2-yl-5-methyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-hex-5-en-2-yl-5-methyl-1,3,4-thiadiazol-2-amine
PubChem CID107648232
Molecular FormulaC9H15N3S
Molecular Weight197.31 g/mol
Exact Mass197.10
IUPAC NameN-hex-5-en-2-yl-5-methyl-1,3,4-thiadiazol-2-amine
SMILESC=CCCC(C)Nc1nnc(C)s1
InChIInChI=1S/C9H15N3S/c1-4-5-6-7(2)10-9-12-11-8(3)13-9/h4,7H,1,5-6H2,2-3H3,(H,10,12)
InChIKeyKJYUYORUHXEZRD-UHFFFAOYSA-N
XLogP2.61
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.31
LogP ≤ 52.61
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-methyl-N-prop-2-enyl-1,3,4-thiadiazol-2-amine
CID 407391
N-cyclohex-3-en-1-yl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 114448591
N-but-3-en-2-yl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 114448729
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-but-3-en-2-yl-5-(difluoromethyl)-1,3,4-thiadiazol-2-amine
CID 130163461
N-cyclopent-3-en-1-yl-5-(difluoromethyl)-1,3,4-thiadiazol-2-amine
CID 130163462
N-ethyl-5-prop-2-enyl-1,3,4-thiadiazol-2-amine
CID 21544991
N,5-bis(prop-2-enyl)-1,3,4-thiadiazol-2-amine
CID 70587257
5-(2-methylbut-3-en-2-yl)-N-propan-2-yl-1,3,4-thiadiazol-2-amine
CID 89165127
5-methyl-N-pentan-3-yl-1,3,4-thiadiazol-2-amine
CID 64916570
N-cyclohex-3-en-1-yl-5-methyl-1,3,4-thiadiazol-2-amine
CID 64982801

Frequently Asked Questions

What is the IUPAC name of N-hex-5-en-2-yl-5-methyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-hex-5-en-2-yl-5-methyl-1,3,4-thiadiazol-2-amine (CID 107648232) is N-hex-5-en-2-yl-5-methyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-hex-5-en-2-yl-5-methyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-hex-5-en-2-yl-5-methyl-1,3,4-thiadiazol-2-amine is C=CCCC(C)Nc1nnc(C)s1.
What is the InChIKey of N-hex-5-en-2-yl-5-methyl-1,3,4-thiadiazol-2-amine?
The InChIKey is KJYUYORUHXEZRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3S/c1-4-5-6-7(2)10-9-12-11-8(3)13-9/h4,7H,1,5-6H2,2-3H3,(H,10,12).
What are the key properties of N-hex-5-en-2-yl-5-methyl-1,3,4-thiadiazol-2-amine?
N-hex-5-en-2-yl-5-methyl-1,3,4-thiadiazol-2-amine has a molecular weight of 197.31 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hex-5-en-2-yl-5-methyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 107648232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).