5-cyclopropyl-N-methyl-N-(2-methylprop-2-enyl)-1,3,4-thiadiazol-2-amine

C10H15N3S — CID 133439065

IUPAC5-cyclopropyl-N-methyl-N-(2-methylprop-2-enyl)-1,3,4-thiadiazol-2-amine
SMILESC=C(C)CN(C)c1nnc(C2CC2)s1
InChIInChI=1S/C10H15N3S/c1-7(2)6-13(3)10-12-11-9(14-10)8-4-5-8/h8H,1,4-6H2,2-3H3
InChIKeyLPFHABAKIIQRNJ-UHFFFAOYSA-N
MW209.32 g/mol
LogP2.43
Rot. Bonds4

About 5-cyclopropyl-N-methyl-N-(2-methylprop-2-enyl)-1,3,4-thiadiazol-2-amine

5-cyclopropyl-N-methyl-N-(2-methylprop-2-enyl)-1,3,4-thiadiazol-2-amine (PubChem CID 133439065) has the molecular formula C10H15N3S and a molecular weight of 209.32 g/mol. Its IUPAC name is 5-cyclopropyl-N-methyl-N-(2-methylprop-2-enyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-cyclopropyl-N-methyl-N-(2-methylprop-2-enyl)-1,3,4-thiadiazol-2-amine
PubChem CID133439065
Molecular FormulaC10H15N3S
Molecular Weight209.32 g/mol
Exact Mass209.10
IUPAC Name5-cyclopropyl-N-methyl-N-(2-methylprop-2-enyl)-1,3,4-thiadiazol-2-amine
SMILESC=C(C)CN(C)c1nnc(C2CC2)s1
InChIInChI=1S/C10H15N3S/c1-7(2)6-13(3)10-12-11-9(14-10)8-4-5-8/h8H,1,4-6H2,2-3H3
InChIKeyLPFHABAKIIQRNJ-UHFFFAOYSA-N
XLogP2.43
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.32
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 5-cyclopropyl-N-methyl-N-(2-methylprop-2-enyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-cyclopropyl-N-methyl-N-(2-methylprop-2-enyl)-1,3,4-thiadiazol-2-amine (CID 133439065) is 5-cyclopropyl-N-methyl-N-(2-methylprop-2-enyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-cyclopropyl-N-methyl-N-(2-methylprop-2-enyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-cyclopropyl-N-methyl-N-(2-methylprop-2-enyl)-1,3,4-thiadiazol-2-amine is C=C(C)CN(C)c1nnc(C2CC2)s1.
What is the InChIKey of 5-cyclopropyl-N-methyl-N-(2-methylprop-2-enyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is LPFHABAKIIQRNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3S/c1-7(2)6-13(3)10-12-11-9(14-10)8-4-5-8/h8H,1,4-6H2,2-3H3.
What are the key properties of 5-cyclopropyl-N-methyl-N-(2-methylprop-2-enyl)-1,3,4-thiadiazol-2-amine?
5-cyclopropyl-N-methyl-N-(2-methylprop-2-enyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 209.32 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-methyl-N-(2-methylprop-2-enyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 133439065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).