3-methyl-5-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline

C11H12N2OS — CID 106921476

IUPAC3-methyl-5-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline
SMILESCc1cc(N)cc(Sc2nc(C)co2)c1
InChIInChI=1S/C11H12N2OS/c1-7-3-9(12)5-10(4-7)15-11-13-8(2)6-14-11/h3-6H,12H2,1-2H3
InChIKeyRTYWAXCTLDZKIF-UHFFFAOYSA-N
MW220.30 g/mol
LogP3.02
Rot. Bonds2

About 3-methyl-5-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline

3-methyl-5-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline (PubChem CID 106921476) has the molecular formula C11H12N2OS and a molecular weight of 220.30 g/mol. Its IUPAC name is 3-methyl-5-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline.

Molecular Properties

Compound Name3-methyl-5-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline
PubChem CID106921476
Molecular FormulaC11H12N2OS
Molecular Weight220.30 g/mol
Exact Mass220.07
IUPAC Name3-methyl-5-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline
SMILESCc1cc(N)cc(Sc2nc(C)co2)c1
InChIInChI=1S/C11H12N2OS/c1-7-3-9(12)5-10(4-7)15-11-13-8(2)6-14-11/h3-6H,12H2,1-2H3
InChIKeyRTYWAXCTLDZKIF-UHFFFAOYSA-N
XLogP3.02
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-Methyl-1,3-oxazol-2-yl)sulfanyl]-5-(trifluoromethyl)aniline
CID 106921458
5-Fluoro-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline
CID 106921465
3-Fluoro-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline
CID 106921482
4-[(4-Methyl-1,3-oxazol-2-yl)sulfanyl]-2-(trifluoromethyl)aniline
CID 106921526
3-Fluoro-5-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline
CID 106921530
4-Fluoro-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline
CID 106921533
4-[(4-Methyl-1,3-oxazol-2-yl)sulfanyl]-3-(trifluoromethyl)aniline
CID 106921545
5-Fluoro-4-methyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline
CID 106921571
3,4-Difluoro-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline
CID 106921578
2-Fluoro-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline
CID 106921600
3,5-Difluoro-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline
CID 106921602
4-Fluoro-5-iodo-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline
CID 106921605

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline?
The IUPAC name of 3-methyl-5-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline (CID 106921476) is 3-methyl-5-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline.
What is the SMILES notation for 3-methyl-5-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline?
The canonical SMILES for 3-methyl-5-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline is Cc1cc(N)cc(Sc2nc(C)co2)c1.
What is the InChIKey of 3-methyl-5-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline?
The InChIKey is RTYWAXCTLDZKIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2OS/c1-7-3-9(12)5-10(4-7)15-11-13-8(2)6-14-11/h3-6H,12H2,1-2H3.
What are the key properties of 3-methyl-5-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline?
3-methyl-5-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline has a molecular weight of 220.30 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline is sourced from PubChem (CID 106921476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).