1-(1,2-thiazol-5-yl)ethane-1,2-diamine

C5H9N3S — CID 55274616

IUPAC1-(1,2-thiazol-5-yl)ethane-1,2-diamine
SMILESNCC(N)c1ccns1
InChIInChI=1S/C5H9N3S/c6-3-4(7)5-1-2-8-9-5/h1-2,4H,3,6-7H2
InChIKeySKCDQNXUNHXINO-UHFFFAOYSA-N
MW143.22 g/mol
LogP0.10
Rot. Bonds2

About 1-(1,2-thiazol-5-yl)ethane-1,2-diamine

1-(1,2-thiazol-5-yl)ethane-1,2-diamine (PubChem CID 55274616) has the molecular formula C5H9N3S and a molecular weight of 143.22 g/mol. Its IUPAC name is 1-(1,2-thiazol-5-yl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(1,2-thiazol-5-yl)ethane-1,2-diamine
PubChem CID55274616
Molecular FormulaC5H9N3S
Molecular Weight143.22 g/mol
Exact Mass143.05
IUPAC Name1-(1,2-thiazol-5-yl)ethane-1,2-diamine
SMILESNCC(N)c1ccns1
InChIInChI=1S/C5H9N3S/c6-3-4(7)5-1-2-8-9-5/h1-2,4H,3,6-7H2
InChIKeySKCDQNXUNHXINO-UHFFFAOYSA-N
XLogP0.10
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.22
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1,2-thiazol-5-yl)ethane-1,2-diamine?
The IUPAC name of 1-(1,2-thiazol-5-yl)ethane-1,2-diamine (CID 55274616) is 1-(1,2-thiazol-5-yl)ethane-1,2-diamine.
What is the SMILES notation for 1-(1,2-thiazol-5-yl)ethane-1,2-diamine?
The canonical SMILES for 1-(1,2-thiazol-5-yl)ethane-1,2-diamine is NCC(N)c1ccns1.
What is the InChIKey of 1-(1,2-thiazol-5-yl)ethane-1,2-diamine?
The InChIKey is SKCDQNXUNHXINO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3S/c6-3-4(7)5-1-2-8-9-5/h1-2,4H,3,6-7H2.
What are the key properties of 1-(1,2-thiazol-5-yl)ethane-1,2-diamine?
1-(1,2-thiazol-5-yl)ethane-1,2-diamine has a molecular weight of 143.22 g/mol, XLogP of 0.10, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-thiazol-5-yl)ethane-1,2-diamine is sourced from PubChem (CID 55274616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).