1-(1,3-thiazol-5-yl)prop-2-ynylhydrazine

C6H7N3S — CID 105253743

IUPAC1-(1,3-thiazol-5-yl)prop-2-ynylhydrazine
SMILESC#CC(NN)c1cncs1
InChIInChI=1S/C6H7N3S/c1-2-5(9-7)6-3-8-4-10-6/h1,3-5,9H,7H2
InChIKeyIJXRJDXAOPSHQR-UHFFFAOYSA-N
MW153.21 g/mol
LogP0.28
Rot. Bonds2

About 1-(1,3-thiazol-5-yl)prop-2-ynylhydrazine

1-(1,3-thiazol-5-yl)prop-2-ynylhydrazine (PubChem CID 105253743) has the molecular formula C6H7N3S and a molecular weight of 153.21 g/mol. Its IUPAC name is 1-(1,3-thiazol-5-yl)prop-2-ynylhydrazine.

Molecular Properties

Compound Name1-(1,3-thiazol-5-yl)prop-2-ynylhydrazine
PubChem CID105253743
Molecular FormulaC6H7N3S
Molecular Weight153.21 g/mol
Exact Mass153.04
IUPAC Name1-(1,3-thiazol-5-yl)prop-2-ynylhydrazine
SMILESC#CC(NN)c1cncs1
InChIInChI=1S/C6H7N3S/c1-2-5(9-7)6-3-8-4-10-6/h1,3-5,9H,7H2
InChIKeyIJXRJDXAOPSHQR-UHFFFAOYSA-N
XLogP0.28
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.21
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-thiazol-5-yl)prop-2-ynylhydrazine?
The IUPAC name of 1-(1,3-thiazol-5-yl)prop-2-ynylhydrazine (CID 105253743) is 1-(1,3-thiazol-5-yl)prop-2-ynylhydrazine.
What is the SMILES notation for 1-(1,3-thiazol-5-yl)prop-2-ynylhydrazine?
The canonical SMILES for 1-(1,3-thiazol-5-yl)prop-2-ynylhydrazine is C#CC(NN)c1cncs1.
What is the InChIKey of 1-(1,3-thiazol-5-yl)prop-2-ynylhydrazine?
The InChIKey is IJXRJDXAOPSHQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3S/c1-2-5(9-7)6-3-8-4-10-6/h1,3-5,9H,7H2.
What are the key properties of 1-(1,3-thiazol-5-yl)prop-2-ynylhydrazine?
1-(1,3-thiazol-5-yl)prop-2-ynylhydrazine has a molecular weight of 153.21 g/mol, XLogP of 0.28, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-thiazol-5-yl)prop-2-ynylhydrazine is sourced from PubChem (CID 105253743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).