2-methyl-6-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]aniline

C15H14N2OS2 — CID 79146830

IUPAC2-methyl-6-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]aniline
SMILESCc1cccc(SCc2cc(-c3cccs3)on2)c1N
InChIInChI=1S/C15H14N2OS2/c1-10-4-2-5-14(15(10)16)20-9-11-8-12(18-17-11)13-6-3-7-19-13/h2-8H,9,16H2,1H3
InChIKeyWIMNAPCIDROSEE-UHFFFAOYSA-N
MW302.42 g/mol
LogP4.59
Rot. Bonds4

About 2-methyl-6-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]aniline

2-methyl-6-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]aniline (PubChem CID 79146830) has the molecular formula C15H14N2OS2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 2-methyl-6-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]aniline.

Molecular Properties

Compound Name2-methyl-6-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]aniline
PubChem CID79146830
Molecular FormulaC15H14N2OS2
Molecular Weight302.42 g/mol
Exact Mass302.05
IUPAC Name2-methyl-6-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]aniline
SMILESCc1cccc(SCc2cc(-c3cccs3)on2)c1N
InChIInChI=1S/C15H14N2OS2/c1-10-4-2-5-14(15(10)16)20-9-11-8-12(18-17-11)13-6-3-7-19-13/h2-8H,9,16H2,1H3
InChIKeyWIMNAPCIDROSEE-UHFFFAOYSA-N
XLogP4.59
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]aniline?
The IUPAC name of 2-methyl-6-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]aniline (CID 79146830) is 2-methyl-6-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]aniline.
What is the SMILES notation for 2-methyl-6-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]aniline?
The canonical SMILES for 2-methyl-6-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]aniline is Cc1cccc(SCc2cc(-c3cccs3)on2)c1N.
What is the InChIKey of 2-methyl-6-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]aniline?
The InChIKey is WIMNAPCIDROSEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2OS2/c1-10-4-2-5-14(15(10)16)20-9-11-8-12(18-17-11)13-6-3-7-19-13/h2-8H,9,16H2,1H3.
What are the key properties of 2-methyl-6-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]aniline?
2-methyl-6-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]aniline has a molecular weight of 302.42 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]aniline is sourced from PubChem (CID 79146830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).