N-ethyl-N-(2-methylprop-2-enyl)-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine

C13H16N4S — CID 133467966

IUPACN-ethyl-N-(2-methylprop-2-enyl)-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine
SMILESC=C(C)CN(CC)c1nnc(-c2ccccn2)s1
InChIInChI=1S/C13H16N4S/c1-4-17(9-10(2)3)13-16-15-12(18-13)11-7-5-6-8-14-11/h5-8H,2,4,9H2,1,3H3
InChIKeyBTAQLIZZMATJDS-UHFFFAOYSA-N
MW260.37 g/mol
LogP3.00
Rot. Bonds5

About N-ethyl-N-(2-methylprop-2-enyl)-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine

N-ethyl-N-(2-methylprop-2-enyl)-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine (PubChem CID 133467966) has the molecular formula C13H16N4S and a molecular weight of 260.37 g/mol. Its IUPAC name is N-ethyl-N-(2-methylprop-2-enyl)-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-ethyl-N-(2-methylprop-2-enyl)-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine
PubChem CID133467966
Molecular FormulaC13H16N4S
Molecular Weight260.37 g/mol
Exact Mass260.11
IUPAC NameN-ethyl-N-(2-methylprop-2-enyl)-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine
SMILESC=C(C)CN(CC)c1nnc(-c2ccccn2)s1
InChIInChI=1S/C13H16N4S/c1-4-17(9-10(2)3)13-16-15-12(18-13)11-7-5-6-8-14-11/h5-8H,2,4,9H2,1,3H3
InChIKeyBTAQLIZZMATJDS-UHFFFAOYSA-N
XLogP3.00
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.37
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 N-ethyl-N-(2-methylprop-2-enyl)-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-ethyl-N-(2-methylprop-2-enyl)-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine (CID 133467966) is N-ethyl-N-(2-methylprop-2-enyl)-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-ethyl-N-(2-methylprop-2-enyl)-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-ethyl-N-(2-methylprop-2-enyl)-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine is C=C(C)CN(CC)c1nnc(-c2ccccn2)s1.
What is the InChIKey of N-ethyl-N-(2-methylprop-2-enyl)-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine?
The InChIKey is BTAQLIZZMATJDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4S/c1-4-17(9-10(2)3)13-16-15-12(18-13)11-7-5-6-8-14-11/h5-8H,2,4,9H2,1,3H3.
What are the key properties of N-ethyl-N-(2-methylprop-2-enyl)-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine?
N-ethyl-N-(2-methylprop-2-enyl)-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine has a molecular weight of 260.37 g/mol, XLogP of 3.00, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-methylprop-2-enyl)-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 133467966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).