2-ethyl-4-(1,2-thiazol-3-yl)aniline

C11H12N2S — CID 130624538

IUPAC2-ethyl-4-(1,2-thiazol-3-yl)aniline
SMILESCCc1cc(-c2ccsn2)ccc1N
InChIInChI=1S/C11H12N2S/c1-2-8-7-9(3-4-10(8)12)11-5-6-14-13-11/h3-7H,2,12H2,1H3
InChIKeyCQMVWCHNDIPEDA-UHFFFAOYSA-N
MW204.30 g/mol
LogP2.95
Rot. Bonds2

About 2-ethyl-4-(1,2-thiazol-3-yl)aniline

2-ethyl-4-(1,2-thiazol-3-yl)aniline (PubChem CID 130624538) has the molecular formula C11H12N2S and a molecular weight of 204.30 g/mol. Its IUPAC name is 2-ethyl-4-(1,2-thiazol-3-yl)aniline.

Molecular Properties

Compound Name2-ethyl-4-(1,2-thiazol-3-yl)aniline
PubChem CID130624538
Molecular FormulaC11H12N2S
Molecular Weight204.30 g/mol
Exact Mass204.07
IUPAC Name2-ethyl-4-(1,2-thiazol-3-yl)aniline
SMILESCCc1cc(-c2ccsn2)ccc1N
InChIInChI=1S/C11H12N2S/c1-2-8-7-9(3-4-10(8)12)11-5-6-14-13-11/h3-7H,2,12H2,1H3
InChIKeyCQMVWCHNDIPEDA-UHFFFAOYSA-N
XLogP2.95
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.30
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

bis(4-(4-amino-3-ethylphenyl)-2-ethylaniline);hydrate
CID 174861024
2-ethyl-4-(1,3-thiazol-4-yl)aniline
CID 130905421
2-ethyl-4-(1-methylpyrazol-3-yl)aniline
CID 103131564
2-ethyl-4-(5-methylthiophen-2-yl)aniline
CID 67522435
4-(3,4-dimethylphenyl)-2-ethylaniline
CID 81287148
2-ethyl-4-(1H-imidazol-2-yl)aniline
CID 55268227
4-(3,5-difluorophenyl)-2-ethylaniline
CID 81287141
2-ethyl-4-(1-methylpyrazol-4-yl)aniline
CID 81288941
2-ethyl-4-(2,4,5-trifluorophenyl)aniline
CID 115503112
2-ethyl-4-[4-(trifluoromethyl)phenyl]aniline
CID 81288373
2-[3-(1,2-thiazol-3-yl)phenyl]acetic acid
CID 130731432
2-ethyl-4-(5-fluoro-2-methoxyphenyl)aniline
CID 81289951

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-(1,2-thiazol-3-yl)aniline?
The IUPAC name of 2-ethyl-4-(1,2-thiazol-3-yl)aniline (CID 130624538) is 2-ethyl-4-(1,2-thiazol-3-yl)aniline.
What is the SMILES notation for 2-ethyl-4-(1,2-thiazol-3-yl)aniline?
The canonical SMILES for 2-ethyl-4-(1,2-thiazol-3-yl)aniline is CCc1cc(-c2ccsn2)ccc1N.
What is the InChIKey of 2-ethyl-4-(1,2-thiazol-3-yl)aniline?
The InChIKey is CQMVWCHNDIPEDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2S/c1-2-8-7-9(3-4-10(8)12)11-5-6-14-13-11/h3-7H,2,12H2,1H3.
What are the key properties of 2-ethyl-4-(1,2-thiazol-3-yl)aniline?
2-ethyl-4-(1,2-thiazol-3-yl)aniline has a molecular weight of 204.30 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-(1,2-thiazol-3-yl)aniline is sourced from PubChem (CID 130624538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).