N'-(1,2-thiazol-3-ylmethyl)ethane-1,2-diamine

C6H11N3S — CID 20557777

IUPACN'-(1,2-thiazol-3-ylmethyl)ethane-1,2-diamine
SMILESNCCNCc1ccsn1
InChIInChI=1S/C6H11N3S/c7-2-3-8-5-6-1-4-10-9-6/h1,4,8H,2-3,5,7H2
InChIKeyMECZAASBOQYBMW-UHFFFAOYSA-N
MW157.24 g/mol
LogP0.19
Rot. Bonds4

About N'-(1,2-thiazol-3-ylmethyl)ethane-1,2-diamine

N'-(1,2-thiazol-3-ylmethyl)ethane-1,2-diamine (PubChem CID 20557777) has the molecular formula C6H11N3S and a molecular weight of 157.24 g/mol. Its IUPAC name is N'-(1,2-thiazol-3-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(1,2-thiazol-3-ylmethyl)ethane-1,2-diamine
PubChem CID20557777
Molecular FormulaC6H11N3S
Molecular Weight157.24 g/mol
Exact Mass157.07
IUPAC NameN'-(1,2-thiazol-3-ylmethyl)ethane-1,2-diamine
SMILESNCCNCc1ccsn1
InChIInChI=1S/C6H11N3S/c7-2-3-8-5-6-1-4-10-9-6/h1,4,8H,2-3,5,7H2
InChIKeyMECZAASBOQYBMW-UHFFFAOYSA-N
XLogP0.19
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.24
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(1,2-thiazol-3-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N'-(1,2-thiazol-3-ylmethyl)ethane-1,2-diamine (CID 20557777) is N'-(1,2-thiazol-3-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(1,2-thiazol-3-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N'-(1,2-thiazol-3-ylmethyl)ethane-1,2-diamine is NCCNCc1ccsn1.
What is the InChIKey of N'-(1,2-thiazol-3-ylmethyl)ethane-1,2-diamine?
The InChIKey is MECZAASBOQYBMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3S/c7-2-3-8-5-6-1-4-10-9-6/h1,4,8H,2-3,5,7H2.
What are the key properties of N'-(1,2-thiazol-3-ylmethyl)ethane-1,2-diamine?
N'-(1,2-thiazol-3-ylmethyl)ethane-1,2-diamine has a molecular weight of 157.24 g/mol, XLogP of 0.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1,2-thiazol-3-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 20557777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).