ethyl 2-sulfanylpropanoate;1,3-thiazol-5-amine

C8H14N2O2S2 — CID 86611214

IUPACethyl 2-sulfanylpropanoate;1,3-thiazol-5-amine
SMILESCCOC(=O)C(C)S.Nc1cncs1
InChIInChI=1S/C5H10O2S.C3H4N2S/c1-3-7-5(6)4(2)8;4-3-1-5-2-6-3/h4,8H,3H2,1-2H3;1-2H,4H2
InChIKeyXCBGUDRJFHSTOR-UHFFFAOYSA-N
MW234.35 g/mol
LogP1.59
Rot. Bonds2

About ethyl 2-sulfanylpropanoate;1,3-thiazol-5-amine

ethyl 2-sulfanylpropanoate;1,3-thiazol-5-amine (PubChem CID 86611214) has the molecular formula C8H14N2O2S2 and a molecular weight of 234.35 g/mol. Its IUPAC name is ethyl 2-sulfanylpropanoate;1,3-thiazol-5-amine.

Molecular Properties

Compound Nameethyl 2-sulfanylpropanoate;1,3-thiazol-5-amine
PubChem CID86611214
Molecular FormulaC8H14N2O2S2
Molecular Weight234.35 g/mol
Exact Mass234.05
IUPAC Nameethyl 2-sulfanylpropanoate;1,3-thiazol-5-amine
SMILESCCOC(=O)C(C)S.Nc1cncs1
InChIInChI=1S/C5H10O2S.C3H4N2S/c1-3-7-5(6)4(2)8;4-3-1-5-2-6-3/h4,8H,3H2,1-2H3;1-2H,4H2
InChIKeyXCBGUDRJFHSTOR-UHFFFAOYSA-N
XLogP1.59
TPSA65.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

Ethyl 2-(1,3-thiazol-5-ylamino)acetate
CID 22134920
Ethyl 2-[(5-amino-2-thiazolyl)thio]acetate
CID 66871749
2-[(5-Amino-1,3-thiazol-2-yl)sulfanyl]butanoic acid
CID 66871960
Ethyl 3-[(5-amino-1,3-thiazol-2-yl)sulfanyl]propanoate
CID 66872086
Butyl 5-amino-1,3-thiazole-2-carboxylate
CID 73011162
5-Aminothiazole 2-mercaptoacetic acid ethyl ester
CID 86611194
Ethyl 2-(5-amino-1,3-thiazol-2-yl)-2-sulfanylacetate
CID 87185794
Ethyl 3-(5-amino-1,3-thiazol-2-yl)-2-sulfanylpropanoate
CID 87185967
Ethyl 2-(5-amino-1,3-thiazol-2-yl)-2-sulfanylpropanoate
CID 87185968
ethyl N-(1,3-thiazol-5-yl)carbamate
CID 153767035
2-Sulfanylacetic acid;1,3-thiazol-5-amine
CID 157461995
2-Sulfanylpropanoic acid;1,3-thiazol-5-amine
CID 157751506

Frequently Asked Questions

What is the IUPAC name of ethyl 2-sulfanylpropanoate;1,3-thiazol-5-amine?
The IUPAC name of ethyl 2-sulfanylpropanoate;1,3-thiazol-5-amine (CID 86611214) is ethyl 2-sulfanylpropanoate;1,3-thiazol-5-amine.
What is the SMILES notation for ethyl 2-sulfanylpropanoate;1,3-thiazol-5-amine?
The canonical SMILES for ethyl 2-sulfanylpropanoate;1,3-thiazol-5-amine is CCOC(=O)C(C)S.Nc1cncs1.
What is the InChIKey of ethyl 2-sulfanylpropanoate;1,3-thiazol-5-amine?
The InChIKey is XCBGUDRJFHSTOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O2S.C3H4N2S/c1-3-7-5(6)4(2)8;4-3-1-5-2-6-3/h4,8H,3H2,1-2H3;1-2H,4H2.
What are the key properties of ethyl 2-sulfanylpropanoate;1,3-thiazol-5-amine?
ethyl 2-sulfanylpropanoate;1,3-thiazol-5-amine has a molecular weight of 234.35 g/mol, XLogP of 1.59, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-sulfanylpropanoate;1,3-thiazol-5-amine is sourced from PubChem (CID 86611214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).