3-(5-chlorothiophen-2-yl)-2-(3-methylsulfanylpropyl)-3H-1,2-oxazol-5-amine

C11H15ClN2OS2 — CID 141063289

IUPAC3-(5-chlorothiophen-2-yl)-2-(3-methylsulfanylpropyl)-3H-1,2-oxazol-5-amine
SMILESCSCCCN1OC(N)=CC1c1ccc(Cl)s1
InChIInChI=1S/C11H15ClN2OS2/c1-16-6-2-5-14-8(7-11(13)15-14)9-3-4-10(12)17-9/h3-4,7-8H,2,5-6,13H2,1H3
InChIKeyDISJXKPNJQVULN-UHFFFAOYSA-N
MW290.84 g/mol
LogP3.24
Rot. Bonds5

About 3-(5-chlorothiophen-2-yl)-2-(3-methylsulfanylpropyl)-3H-1,2-oxazol-5-amine

3-(5-chlorothiophen-2-yl)-2-(3-methylsulfanylpropyl)-3H-1,2-oxazol-5-amine (PubChem CID 141063289) has the molecular formula C11H15ClN2OS2 and a molecular weight of 290.84 g/mol. Its IUPAC name is 3-(5-chlorothiophen-2-yl)-2-(3-methylsulfanylpropyl)-3H-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(5-chlorothiophen-2-yl)-2-(3-methylsulfanylpropyl)-3H-1,2-oxazol-5-amine
PubChem CID141063289
Molecular FormulaC11H15ClN2OS2
Molecular Weight290.84 g/mol
Exact Mass290.03
IUPAC Name3-(5-chlorothiophen-2-yl)-2-(3-methylsulfanylpropyl)-3H-1,2-oxazol-5-amine
SMILESCSCCCN1OC(N)=CC1c1ccc(Cl)s1
InChIInChI=1S/C11H15ClN2OS2/c1-16-6-2-5-14-8(7-11(13)15-14)9-3-4-10(12)17-9/h3-4,7-8H,2,5-6,13H2,1H3
InChIKeyDISJXKPNJQVULN-UHFFFAOYSA-N
XLogP3.24
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.84
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(5-chlorothiophen-2-yl)-2-cyclopentyl-5H-1,2-oxazol-5-amine
CID 90721100
3-(5-chlorothiophen-2-yl)-2-cyclohexyl-5H-1,2-oxazol-5-amine
CID 90815879
3-(5-chlorothiophen-2-yl)-2-cyclobutyl-5H-1,2-oxazol-5-amine
CID 91001426
3-(5-chlorothiophen-2-yl)-2-cycloheptyl-5H-1,2-oxazol-5-amine
CID 91386226
2-butan-2-yl-3-(5-chlorothiophen-2-yl)-5H-1,2-oxazol-5-amine
CID 91449845
3-(5-chlorothiophen-2-yl)-2-[3-(dibutylamino)propyl]-3H-1,2-oxazol-5-amine
CID 141063259
3-(5-chlorothiophen-2-yl)-2-[2-(cyclohexen-1-yl)ethyl]-3H-1,2-oxazol-5-amine
CID 141063355
3-(5-chlorothiophen-2-yl)-2-(thiophen-2-ylmethyl)-3H-1,2-oxazol-5-amine
CID 141063362
3-(5-ethylthiophen-2-yl)-2-(thiophen-2-ylmethyl)-3H-1,2-oxazol-5-amine
CID 141063370
3-(5-ethylthiophen-2-yl)-2-pentan-2-yl-3H-1,2-oxazol-5-amine
CID 141063388
3-(5-methylthiophen-2-yl)-2-(thiophen-2-ylmethyl)-3H-1,2-oxazol-5-amine
CID 141063413
3-(5-chlorothiophen-2-yl)-2-(4-phenylbutan-2-yl)-3H-1,2-oxazol-5-amine
CID 141063425

Frequently Asked Questions

What is the IUPAC name of 3-(5-chlorothiophen-2-yl)-2-(3-methylsulfanylpropyl)-3H-1,2-oxazol-5-amine?
The IUPAC name of 3-(5-chlorothiophen-2-yl)-2-(3-methylsulfanylpropyl)-3H-1,2-oxazol-5-amine (CID 141063289) is 3-(5-chlorothiophen-2-yl)-2-(3-methylsulfanylpropyl)-3H-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(5-chlorothiophen-2-yl)-2-(3-methylsulfanylpropyl)-3H-1,2-oxazol-5-amine?
The canonical SMILES for 3-(5-chlorothiophen-2-yl)-2-(3-methylsulfanylpropyl)-3H-1,2-oxazol-5-amine is CSCCCN1OC(N)=CC1c1ccc(Cl)s1.
What is the InChIKey of 3-(5-chlorothiophen-2-yl)-2-(3-methylsulfanylpropyl)-3H-1,2-oxazol-5-amine?
The InChIKey is DISJXKPNJQVULN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2OS2/c1-16-6-2-5-14-8(7-11(13)15-14)9-3-4-10(12)17-9/h3-4,7-8H,2,5-6,13H2,1H3.
What are the key properties of 3-(5-chlorothiophen-2-yl)-2-(3-methylsulfanylpropyl)-3H-1,2-oxazol-5-amine?
3-(5-chlorothiophen-2-yl)-2-(3-methylsulfanylpropyl)-3H-1,2-oxazol-5-amine has a molecular weight of 290.84 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chlorothiophen-2-yl)-2-(3-methylsulfanylpropyl)-3H-1,2-oxazol-5-amine is sourced from PubChem (CID 141063289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).