2-N-(2-prop-2-enylsulfanylethyl)-1,3-thiazole-2,5-diamine

C8H13N3S2 — CID 106426054

IUPAC2-N-(2-prop-2-enylsulfanylethyl)-1,3-thiazole-2,5-diamine
SMILESC=CCSCCNc1ncc(N)s1
InChIInChI=1S/C8H13N3S2/c1-2-4-12-5-3-10-8-11-6-7(9)13-8/h2,6H,1,3-5,9H2,(H,10,11)
InChIKeyNUNSXAZSFAPQRT-UHFFFAOYSA-N
MW215.35 g/mol
LogP2.06
Rot. Bonds6

About 2-N-(2-prop-2-enylsulfanylethyl)-1,3-thiazole-2,5-diamine

2-N-(2-prop-2-enylsulfanylethyl)-1,3-thiazole-2,5-diamine (PubChem CID 106426054) has the molecular formula C8H13N3S2 and a molecular weight of 215.35 g/mol. Its IUPAC name is 2-N-(2-prop-2-enylsulfanylethyl)-1,3-thiazole-2,5-diamine.

Molecular Properties

Compound Name2-N-(2-prop-2-enylsulfanylethyl)-1,3-thiazole-2,5-diamine
PubChem CID106426054
Molecular FormulaC8H13N3S2
Molecular Weight215.35 g/mol
Exact Mass215.06
IUPAC Name2-N-(2-prop-2-enylsulfanylethyl)-1,3-thiazole-2,5-diamine
SMILESC=CCSCCNc1ncc(N)s1
InChIInChI=1S/C8H13N3S2/c1-2-4-12-5-3-10-8-11-6-7(9)13-8/h2,6H,1,3-5,9H2,(H,10,11)
InChIKeyNUNSXAZSFAPQRT-UHFFFAOYSA-N
XLogP2.06
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.35
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-N-(2-prop-2-enylsulfanylethyl)-1,3-thiazole-2,5-diamine?
The IUPAC name of 2-N-(2-prop-2-enylsulfanylethyl)-1,3-thiazole-2,5-diamine (CID 106426054) is 2-N-(2-prop-2-enylsulfanylethyl)-1,3-thiazole-2,5-diamine.
What is the SMILES notation for 2-N-(2-prop-2-enylsulfanylethyl)-1,3-thiazole-2,5-diamine?
The canonical SMILES for 2-N-(2-prop-2-enylsulfanylethyl)-1,3-thiazole-2,5-diamine is C=CCSCCNc1ncc(N)s1.
What is the InChIKey of 2-N-(2-prop-2-enylsulfanylethyl)-1,3-thiazole-2,5-diamine?
The InChIKey is NUNSXAZSFAPQRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3S2/c1-2-4-12-5-3-10-8-11-6-7(9)13-8/h2,6H,1,3-5,9H2,(H,10,11).
What are the key properties of 2-N-(2-prop-2-enylsulfanylethyl)-1,3-thiazole-2,5-diamine?
2-N-(2-prop-2-enylsulfanylethyl)-1,3-thiazole-2,5-diamine has a molecular weight of 215.35 g/mol, XLogP of 2.06, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-prop-2-enylsulfanylethyl)-1,3-thiazole-2,5-diamine is sourced from PubChem (CID 106426054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).