ethane;N-methyl-3-(1,3-thiazol-2-yl)aniline

C12H16N2S — CID 143181511

IUPACethane;N-methyl-3-(1,3-thiazol-2-yl)aniline
SMILESCC.CNc1cccc(-c2nccs2)c1
InChIInChI=1S/C10H10N2S.C2H6/c1-11-9-4-2-3-8(7-9)10-12-5-6-13-10;1-2/h2-7,11H,1H3;1-2H3
InChIKeyYGPJZBQWNVIFDW-UHFFFAOYSA-N
MW220.34 g/mol
LogP3.88
Rot. Bonds2

About ethane;N-methyl-3-(1,3-thiazol-2-yl)aniline

ethane;N-methyl-3-(1,3-thiazol-2-yl)aniline (PubChem CID 143181511) has the molecular formula C12H16N2S and a molecular weight of 220.34 g/mol. Its IUPAC name is ethane;N-methyl-3-(1,3-thiazol-2-yl)aniline.

Molecular Properties

Compound Nameethane;N-methyl-3-(1,3-thiazol-2-yl)aniline
PubChem CID143181511
Molecular FormulaC12H16N2S
Molecular Weight220.34 g/mol
Exact Mass220.10
IUPAC Nameethane;N-methyl-3-(1,3-thiazol-2-yl)aniline
SMILESCC.CNc1cccc(-c2nccs2)c1
InChIInChI=1S/C10H10N2S.C2H6/c1-11-9-4-2-3-8(7-9)10-12-5-6-13-10;1-2/h2-7,11H,1H3;1-2H3
InChIKeyYGPJZBQWNVIFDW-UHFFFAOYSA-N
XLogP3.88
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-heptan-4-yl-3-(1,3-thiazol-2-yl)aniline
CID 55193873
N-cyclopentyl-3-(1,3-thiazol-2-yl)aniline
CID 54864565
2-bromo-N-[3-(1,3-thiazol-2-yl)phenyl]propanamide
CID 107904091
N-(3-propan-2-ylcyclobutyl)-3-(1,3-thiazol-2-yl)aniline
CID 103561673
N-(2,2-dimethylcyclohexyl)-3-(1,3-thiazol-2-yl)aniline
CID 79835492
N-hexan-2-yl-3-(1,3-thiazol-2-yl)aniline
CID 54864648
N-(4-propan-2-ylcyclohexyl)-3-(1,3-thiazol-2-yl)aniline
CID 63453258
N-[1-(5-methylthiophen-2-yl)ethyl]-3-(1,3-thiazol-2-yl)aniline
CID 60935914
2-(3-chlorophenyl)-1,3-thiazole
CID 23135786
2-(3-propan-2-ylphenyl)-1,3-thiazole
CID 22945701
2-amino-3,3,3-trifluoro-2-methyl-N-[3-(1,3-thiazol-2-yl)phenyl]propanamide
CID 79792418
N-(3-ethylsulfanylpropyl)-3-(1,3-thiazol-2-yl)aniline
CID 113373272

Frequently Asked Questions

What is the IUPAC name of ethane;N-methyl-3-(1,3-thiazol-2-yl)aniline?
The IUPAC name of ethane;N-methyl-3-(1,3-thiazol-2-yl)aniline (CID 143181511) is ethane;N-methyl-3-(1,3-thiazol-2-yl)aniline.
What is the SMILES notation for ethane;N-methyl-3-(1,3-thiazol-2-yl)aniline?
The canonical SMILES for ethane;N-methyl-3-(1,3-thiazol-2-yl)aniline is CC.CNc1cccc(-c2nccs2)c1.
What is the InChIKey of ethane;N-methyl-3-(1,3-thiazol-2-yl)aniline?
The InChIKey is YGPJZBQWNVIFDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2S.C2H6/c1-11-9-4-2-3-8(7-9)10-12-5-6-13-10;1-2/h2-7,11H,1H3;1-2H3.
What are the key properties of ethane;N-methyl-3-(1,3-thiazol-2-yl)aniline?
ethane;N-methyl-3-(1,3-thiazol-2-yl)aniline has a molecular weight of 220.34 g/mol, XLogP of 3.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methyl-3-(1,3-thiazol-2-yl)aniline is sourced from PubChem (CID 143181511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).