5-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-methylaniline

C12H14N2OS — CID 106921620

IUPAC5-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-methylaniline
SMILESCc1ccc(Sc2nc(C)c(C)o2)cc1N
InChIInChI=1S/C12H14N2OS/c1-7-4-5-10(6-11(7)13)16-12-14-8(2)9(3)15-12/h4-6H,13H2,1-3H3
InChIKeyDHGAFMZDUAOMJL-UHFFFAOYSA-N
MW234.32 g/mol
LogP3.33
Rot. Bonds2

About 5-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-methylaniline

5-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-methylaniline (PubChem CID 106921620) has the molecular formula C12H14N2OS and a molecular weight of 234.32 g/mol. Its IUPAC name is 5-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-methylaniline.

Molecular Properties

Compound Name5-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-methylaniline
PubChem CID106921620
Molecular FormulaC12H14N2OS
Molecular Weight234.32 g/mol
Exact Mass234.08
IUPAC Name5-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-methylaniline
SMILESCc1ccc(Sc2nc(C)c(C)o2)cc1N
InChIInChI=1S/C12H14N2OS/c1-7-4-5-10(6-11(7)13)16-12-14-8(2)9(3)15-12/h4-6H,13H2,1-3H3
InChIKeyDHGAFMZDUAOMJL-UHFFFAOYSA-N
XLogP3.33
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 53.33
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-amino-5-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]benzamide
CID 106924162
3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-5-fluoroaniline
CID 106921680
[5-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-pyridinyl]methanamine
CID 106923770
N-[[4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-methylphenyl]methyl]-2-methylpropan-1-amine
CID 106926774
6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1H-indole-2,3-dione
CID 106923052
3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-methylaniline
CID 106921700
1-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]phenyl]ethanone
CID 106923049
4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N'-hydroxybenzenecarboximidamide
CID 113228227
3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]benzoic acid
CID 106926098
N-(3-amino-4-methylphenyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetamide
CID 106922312
4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-(trifluoromethyl)benzoic acid
CID 106926107
2-methyl-5-methylsulfanylaniline
CID 62911126

Frequently Asked Questions

What is the IUPAC name of 5-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-methylaniline?
The IUPAC name of 5-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-methylaniline (CID 106921620) is 5-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-methylaniline.
What is the SMILES notation for 5-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-methylaniline?
The canonical SMILES for 5-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-methylaniline is Cc1ccc(Sc2nc(C)c(C)o2)cc1N.
What is the InChIKey of 5-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-methylaniline?
The InChIKey is DHGAFMZDUAOMJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2OS/c1-7-4-5-10(6-11(7)13)16-12-14-8(2)9(3)15-12/h4-6H,13H2,1-3H3.
What are the key properties of 5-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-methylaniline?
5-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-methylaniline has a molecular weight of 234.32 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-methylaniline is sourced from PubChem (CID 106921620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).