4-N-ethyl-1,3-thiazole-2,4-diamine

C5H9N3S — CID 87416726

IUPAC4-N-ethyl-1,3-thiazole-2,4-diamine
SMILESCCNc1csc(N)n1
InChIInChI=1S/C5H9N3S/c1-2-7-4-3-9-5(6)8-4/h3,7H,2H2,1H3,(H2,6,8)
InChIKeyGNCJZADCEVGSMJ-UHFFFAOYSA-N
MW143.22 g/mol
LogP1.16
Rot. Bonds2

About 4-N-ethyl-1,3-thiazole-2,4-diamine

4-N-ethyl-1,3-thiazole-2,4-diamine (PubChem CID 87416726) has the molecular formula C5H9N3S and a molecular weight of 143.22 g/mol. Its IUPAC name is 4-N-ethyl-1,3-thiazole-2,4-diamine.

Molecular Properties

Compound Name4-N-ethyl-1,3-thiazole-2,4-diamine
PubChem CID87416726
Molecular FormulaC5H9N3S
Molecular Weight143.22 g/mol
Exact Mass143.05
IUPAC Name4-N-ethyl-1,3-thiazole-2,4-diamine
SMILESCCNc1csc(N)n1
InChIInChI=1S/C5H9N3S/c1-2-7-4-3-9-5(6)8-4/h3,7H,2H2,1H3,(H2,6,8)
InChIKeyGNCJZADCEVGSMJ-UHFFFAOYSA-N
XLogP1.16
TPSA50.94 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 ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-1,3-thiazole-2,4-diamine?
The IUPAC name of 4-N-ethyl-1,3-thiazole-2,4-diamine (CID 87416726) is 4-N-ethyl-1,3-thiazole-2,4-diamine.
What is the SMILES notation for 4-N-ethyl-1,3-thiazole-2,4-diamine?
The canonical SMILES for 4-N-ethyl-1,3-thiazole-2,4-diamine is CCNc1csc(N)n1.
What is the InChIKey of 4-N-ethyl-1,3-thiazole-2,4-diamine?
The InChIKey is GNCJZADCEVGSMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3S/c1-2-7-4-3-9-5(6)8-4/h3,7H,2H2,1H3,(H2,6,8).
What are the key properties of 4-N-ethyl-1,3-thiazole-2,4-diamine?
4-N-ethyl-1,3-thiazole-2,4-diamine has a molecular weight of 143.22 g/mol, XLogP of 1.16, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-1,3-thiazole-2,4-diamine is sourced from PubChem (CID 87416726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).