N-ethyl-1,3-thiazol-4-amine

C5H8N2S — CID 45121856

IUPACN-ethyl-1,3-thiazol-4-amine
SMILESCCNc1cscn1
InChIInChI=1S/C5H8N2S/c1-2-6-5-3-8-4-7-5/h3-4,6H,2H2,1H3
InChIKeyBJSRLKXLCIHRLH-UHFFFAOYSA-N
MW128.20 g/mol
LogP1.57
Rot. Bonds2

About N-ethyl-1,3-thiazol-4-amine

N-ethyl-1,3-thiazol-4-amine (PubChem CID 45121856) has the molecular formula C5H8N2S and a molecular weight of 128.20 g/mol. Its IUPAC name is N-ethyl-1,3-thiazol-4-amine.

Molecular Properties

Compound NameN-ethyl-1,3-thiazol-4-amine
PubChem CID45121856
Molecular FormulaC5H8N2S
Molecular Weight128.20 g/mol
Exact Mass128.04
IUPAC NameN-ethyl-1,3-thiazol-4-amine
SMILESCCNc1cscn1
InChIInChI=1S/C5H8N2S/c1-2-6-5-3-8-4-7-5/h3-4,6H,2H2,1H3
InChIKeyBJSRLKXLCIHRLH-UHFFFAOYSA-N
XLogP1.57
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.20
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1,3-thiazol-4-amine?
The IUPAC name of N-ethyl-1,3-thiazol-4-amine (CID 45121856) is N-ethyl-1,3-thiazol-4-amine.
What is the SMILES notation for N-ethyl-1,3-thiazol-4-amine?
The canonical SMILES for N-ethyl-1,3-thiazol-4-amine is CCNc1cscn1.
What is the InChIKey of N-ethyl-1,3-thiazol-4-amine?
The InChIKey is BJSRLKXLCIHRLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2S/c1-2-6-5-3-8-4-7-5/h3-4,6H,2H2,1H3.
What are the key properties of N-ethyl-1,3-thiazol-4-amine?
N-ethyl-1,3-thiazol-4-amine has a molecular weight of 128.20 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1,3-thiazol-4-amine is sourced from PubChem (CID 45121856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).