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

C11H12N2OS — CID 65168617

IUPAC2-[(4,5-dimethyl-1,3-thiazol-2-yl)oxy]aniline
SMILESCc1nc(Oc2ccccc2N)sc1C
InChIInChI=1S/C11H12N2OS/c1-7-8(2)15-11(13-7)14-10-6-4-3-5-9(10)12/h3-6H,12H2,1-2H3
InChIKeyQTZUHQCPNGBBOW-UHFFFAOYSA-N
MW220.30 g/mol
LogP3.13
Rot. Bonds2

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

2-[(4,5-dimethyl-1,3-thiazol-2-yl)oxy]aniline (PubChem CID 65168617) has the molecular formula C11H12N2OS and a molecular weight of 220.30 g/mol. Its IUPAC name is 2-[(4,5-dimethyl-1,3-thiazol-2-yl)oxy]aniline.

Molecular Properties

Compound Name2-[(4,5-dimethyl-1,3-thiazol-2-yl)oxy]aniline
PubChem CID65168617
Molecular FormulaC11H12N2OS
Molecular Weight220.30 g/mol
Exact Mass220.07
IUPAC Name2-[(4,5-dimethyl-1,3-thiazol-2-yl)oxy]aniline
SMILESCc1nc(Oc2ccccc2N)sc1C
InChIInChI=1S/C11H12N2OS/c1-7-8(2)15-11(13-7)14-10-6-4-3-5-9(10)12/h3-6H,12H2,1-2H3
InChIKeyQTZUHQCPNGBBOW-UHFFFAOYSA-N
XLogP3.13
TPSA48.14 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 ≤ 53.13
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-[(4,5-dimethyl-1,3-thiazol-2-yl)oxy]-4-fluoroaniline
CID 65168674
2-[(4,5-dimethyl-1,3-thiazol-2-yl)oxy]-5-methoxyaniline
CID 65168671
2-[(4,5-dimethyl-1,3-thiazol-2-yl)oxy]-5-ethylaniline
CID 65169068
4-[(4,5-dimethyl-1,3-thiazol-2-yl)oxy]-5-fluoro-2-methylaniline
CID 114417467
N-[2-(2-aminophenoxy)ethyl]-4,5-dimethyl-1,3-thiazol-2-amine
CID 65168628
2-[2-[2-(2-aminophenoxy)phenoxy]phenoxy]aniline
CID 22338600
2-(1,2,4-thiadiazol-5-yloxy)aniline
CID 65274530
2-[(4,5-dimethyl-1,3-thiazol-2-yl)oxy]-6-nitrobenzoic acid
CID 107342029
2-(2-chlorophenoxy)-5-methyl-1,3-thiazole-4-carboxylic acid
CID 66509643
[4-[(4,5-dimethyl-1,3-thiazol-2-yl)oxy]-3-(trifluoromethyl)phenyl]methanamine
CID 115468303
4-[(4,5-dimethyl-1,3-thiazol-2-yl)oxy]-N-methylaniline
CID 65168743
2-(5-bromo-2,3-difluorophenoxy)-4,5-dimethyl-1,3-thiazole
CID 107099338

Frequently Asked Questions

What is the IUPAC name of 2-[(4,5-dimethyl-1,3-thiazol-2-yl)oxy]aniline?
The IUPAC name of 2-[(4,5-dimethyl-1,3-thiazol-2-yl)oxy]aniline (CID 65168617) is 2-[(4,5-dimethyl-1,3-thiazol-2-yl)oxy]aniline.
What is the SMILES notation for 2-[(4,5-dimethyl-1,3-thiazol-2-yl)oxy]aniline?
The canonical SMILES for 2-[(4,5-dimethyl-1,3-thiazol-2-yl)oxy]aniline is Cc1nc(Oc2ccccc2N)sc1C.
What is the InChIKey of 2-[(4,5-dimethyl-1,3-thiazol-2-yl)oxy]aniline?
The InChIKey is QTZUHQCPNGBBOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2OS/c1-7-8(2)15-11(13-7)14-10-6-4-3-5-9(10)12/h3-6H,12H2,1-2H3.
What are the key properties of 2-[(4,5-dimethyl-1,3-thiazol-2-yl)oxy]aniline?
2-[(4,5-dimethyl-1,3-thiazol-2-yl)oxy]aniline has a molecular weight of 220.30 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,5-dimethyl-1,3-thiazol-2-yl)oxy]aniline is sourced from PubChem (CID 65168617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).