4-(2-ethyl-1,3-thiazolidin-2-yl)aniline;hydrochloride

C11H17ClN2S — CID 90481703

IUPAC4-(2-ethyl-1,3-thiazolidin-2-yl)aniline;hydrochloride
SMILESCCC1(c2ccc(N)cc2)NCCS1.Cl
InChIInChI=1S/C11H16N2S.ClH/c1-2-11(13-7-8-14-11)9-3-5-10(12)6-4-9;/h3-6,13H,2,7-8,12H2,1H3;1H
InChIKeyXMVGUPDMXPDPJI-UHFFFAOYSA-N
MW244.79 g/mol
LogP2.59
Rot. Bonds2

About 4-(2-ethyl-1,3-thiazolidin-2-yl)aniline;hydrochloride

4-(2-ethyl-1,3-thiazolidin-2-yl)aniline;hydrochloride (PubChem CID 90481703) has the molecular formula C11H17ClN2S and a molecular weight of 244.79 g/mol. Its IUPAC name is 4-(2-ethyl-1,3-thiazolidin-2-yl)aniline;hydrochloride.

Molecular Properties

Compound Name4-(2-ethyl-1,3-thiazolidin-2-yl)aniline;hydrochloride
PubChem CID90481703
Molecular FormulaC11H17ClN2S
Molecular Weight244.79 g/mol
Exact Mass244.08
IUPAC Name4-(2-ethyl-1,3-thiazolidin-2-yl)aniline;hydrochloride
SMILESCCC1(c2ccc(N)cc2)NCCS1.Cl
InChIInChI=1S/C11H16N2S.ClH/c1-2-11(13-7-8-14-11)9-3-5-10(12)6-4-9;/h3-6,13H,2,7-8,12H2,1H3;1H
InChIKeyXMVGUPDMXPDPJI-UHFFFAOYSA-N
XLogP2.59
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.79
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-ethyl-1,3-thiazolidin-2-yl)aniline;hydrochloride?
The IUPAC name of 4-(2-ethyl-1,3-thiazolidin-2-yl)aniline;hydrochloride (CID 90481703) is 4-(2-ethyl-1,3-thiazolidin-2-yl)aniline;hydrochloride.
What is the SMILES notation for 4-(2-ethyl-1,3-thiazolidin-2-yl)aniline;hydrochloride?
The canonical SMILES for 4-(2-ethyl-1,3-thiazolidin-2-yl)aniline;hydrochloride is CCC1(c2ccc(N)cc2)NCCS1.Cl.
What is the InChIKey of 4-(2-ethyl-1,3-thiazolidin-2-yl)aniline;hydrochloride?
The InChIKey is XMVGUPDMXPDPJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2S.ClH/c1-2-11(13-7-8-14-11)9-3-5-10(12)6-4-9;/h3-6,13H,2,7-8,12H2,1H3;1H.
What are the key properties of 4-(2-ethyl-1,3-thiazolidin-2-yl)aniline;hydrochloride?
4-(2-ethyl-1,3-thiazolidin-2-yl)aniline;hydrochloride has a molecular weight of 244.79 g/mol, XLogP of 2.59, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethyl-1,3-thiazolidin-2-yl)aniline;hydrochloride is sourced from PubChem (CID 90481703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).