4-[(4,5-dimethyl-1,3-thiazol-2-yl)oxy]-N-methylaniline

C12H14N2OS — CID 65168743

IUPAC4-[(4,5-dimethyl-1,3-thiazol-2-yl)oxy]-N-methylaniline
SMILESCNc1ccc(Oc2nc(C)c(C)s2)cc1
InChIInChI=1S/C12H14N2OS/c1-8-9(2)16-12(14-8)15-11-6-4-10(13-3)5-7-11/h4-7,13H,1-3H3
InChIKeyIYIRUABORCDQRF-UHFFFAOYSA-N
MW234.32 g/mol
LogP3.59
Rot. Bonds3

About 4-[(4,5-dimethyl-1,3-thiazol-2-yl)oxy]-N-methylaniline

4-[(4,5-dimethyl-1,3-thiazol-2-yl)oxy]-N-methylaniline (PubChem CID 65168743) has the molecular formula C12H14N2OS and a molecular weight of 234.32 g/mol. Its IUPAC name is 4-[(4,5-dimethyl-1,3-thiazol-2-yl)oxy]-N-methylaniline.

Molecular Properties

Compound Name4-[(4,5-dimethyl-1,3-thiazol-2-yl)oxy]-N-methylaniline
PubChem CID65168743
Molecular FormulaC12H14N2OS
Molecular Weight234.32 g/mol
Exact Mass234.08
IUPAC Name4-[(4,5-dimethyl-1,3-thiazol-2-yl)oxy]-N-methylaniline
SMILESCNc1ccc(Oc2nc(C)c(C)s2)cc1
InChIInChI=1S/C12H14N2OS/c1-8-9(2)16-12(14-8)15-11-6-4-10(13-3)5-7-11/h4-7,13H,1-3H3
InChIKeyIYIRUABORCDQRF-UHFFFAOYSA-N
XLogP3.59
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(4,5-dimethyl-1,3-thiazol-2-yl)oxy]-N-methylaniline?
The IUPAC name of 4-[(4,5-dimethyl-1,3-thiazol-2-yl)oxy]-N-methylaniline (CID 65168743) is 4-[(4,5-dimethyl-1,3-thiazol-2-yl)oxy]-N-methylaniline.
What is the SMILES notation for 4-[(4,5-dimethyl-1,3-thiazol-2-yl)oxy]-N-methylaniline?
The canonical SMILES for 4-[(4,5-dimethyl-1,3-thiazol-2-yl)oxy]-N-methylaniline is CNc1ccc(Oc2nc(C)c(C)s2)cc1.
What is the InChIKey of 4-[(4,5-dimethyl-1,3-thiazol-2-yl)oxy]-N-methylaniline?
The InChIKey is IYIRUABORCDQRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2OS/c1-8-9(2)16-12(14-8)15-11-6-4-10(13-3)5-7-11/h4-7,13H,1-3H3.
What are the key properties of 4-[(4,5-dimethyl-1,3-thiazol-2-yl)oxy]-N-methylaniline?
4-[(4,5-dimethyl-1,3-thiazol-2-yl)oxy]-N-methylaniline has a molecular weight of 234.32 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4,5-dimethyl-1,3-thiazol-2-yl)oxy]-N-methylaniline is sourced from PubChem (CID 65168743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).