1-(3-methyl-1,2,4-thiadiazol-5-yl)prop-1-en-2-amine

C6H9N3S — CID 71403164

IUPAC1-(3-methyl-1,2,4-thiadiazol-5-yl)prop-1-en-2-amine
SMILESCC(N)=Cc1nc(C)ns1
InChIInChI=1S/C6H9N3S/c1-4(7)3-6-8-5(2)9-10-6/h3H,7H2,1-2H3
InChIKeyITWGCPSZUZYPPK-UHFFFAOYSA-N
MW155.23 g/mol
LogP1.17
Rot. Bonds1

About 1-(3-methyl-1,2,4-thiadiazol-5-yl)prop-1-en-2-amine

1-(3-methyl-1,2,4-thiadiazol-5-yl)prop-1-en-2-amine (PubChem CID 71403164) has the molecular formula C6H9N3S and a molecular weight of 155.23 g/mol. Its IUPAC name is 1-(3-methyl-1,2,4-thiadiazol-5-yl)prop-1-en-2-amine.

Molecular Properties

Compound Name1-(3-methyl-1,2,4-thiadiazol-5-yl)prop-1-en-2-amine
PubChem CID71403164
Molecular FormulaC6H9N3S
Molecular Weight155.23 g/mol
Exact Mass155.05
IUPAC Name1-(3-methyl-1,2,4-thiadiazol-5-yl)prop-1-en-2-amine
SMILESCC(N)=Cc1nc(C)ns1
InChIInChI=1S/C6H9N3S/c1-4(7)3-6-8-5(2)9-10-6/h3H,7H2,1-2H3
InChIKeyITWGCPSZUZYPPK-UHFFFAOYSA-N
XLogP1.17
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.23
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-1,2,4-thiadiazol-5-yl)prop-1-en-2-amine?
The IUPAC name of 1-(3-methyl-1,2,4-thiadiazol-5-yl)prop-1-en-2-amine (CID 71403164) is 1-(3-methyl-1,2,4-thiadiazol-5-yl)prop-1-en-2-amine.
What is the SMILES notation for 1-(3-methyl-1,2,4-thiadiazol-5-yl)prop-1-en-2-amine?
The canonical SMILES for 1-(3-methyl-1,2,4-thiadiazol-5-yl)prop-1-en-2-amine is CC(N)=Cc1nc(C)ns1.
What is the InChIKey of 1-(3-methyl-1,2,4-thiadiazol-5-yl)prop-1-en-2-amine?
The InChIKey is ITWGCPSZUZYPPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3S/c1-4(7)3-6-8-5(2)9-10-6/h3H,7H2,1-2H3.
What are the key properties of 1-(3-methyl-1,2,4-thiadiazol-5-yl)prop-1-en-2-amine?
1-(3-methyl-1,2,4-thiadiazol-5-yl)prop-1-en-2-amine has a molecular weight of 155.23 g/mol, XLogP of 1.17, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-1,2,4-thiadiazol-5-yl)prop-1-en-2-amine is sourced from PubChem (CID 71403164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).