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

C12H14N2S — CID 82472251

IUPAC2-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]aniline
SMILESCc1csc(CCc2ccccc2N)n1
InChIInChI=1S/C12H14N2S/c1-9-8-15-12(14-9)7-6-10-4-2-3-5-11(10)13/h2-5,8H,6-7,13H2,1H3
InChIKeyCCVLLXPKESZKAW-UHFFFAOYSA-N
MW218.33 g/mol
LogP2.82
Rot. Bonds3

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

2-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]aniline (PubChem CID 82472251) has the molecular formula C12H14N2S and a molecular weight of 218.33 g/mol. Its IUPAC name is 2-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]aniline.

Molecular Properties

Compound Name2-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]aniline
PubChem CID82472251
Molecular FormulaC12H14N2S
Molecular Weight218.33 g/mol
Exact Mass218.09
IUPAC Name2-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]aniline
SMILESCc1csc(CCc2ccccc2N)n1
InChIInChI=1S/C12H14N2S/c1-9-8-15-12(14-9)7-6-10-4-2-3-5-11(10)13/h2-5,8H,6-7,13H2,1H3
InChIKeyCCVLLXPKESZKAW-UHFFFAOYSA-N
XLogP2.82
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.33
LogP ≤ 52.82
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

2-(2-aminophenyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]acetamide
CID 63238856
2-[[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]phenol
CID 62735021
2-[2-(4-methyl-1,3-benzothiazol-2-yl)ethyl]aniline
CID 107273677
3-(2-aminophenyl)-N-ethyl-N-(4-methyl-1,3-thiazol-2-yl)propanamide;hydrochloride
CID 120611119
2-[2-(4-methylpyrimidin-2-yl)ethyl]aniline
CID 82471035
1-(2-aminophenyl)-N-(4-methyl-1,3-thiazol-2-yl)methanesulfonamide
CID 62019955
3-(2-aminophenyl)-1-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one
CID 120612449
2-(4-methyl-1,3-thiazol-2-yl)ethylhydrazine
CID 105220758
2-amino-6-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 63238942
3-(2-aminophenoxy)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide
CID 63239032
2-amino-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-phenylacetamide
CID 55175614
1-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-4-phenylbutane-1,2-diamine
CID 114929723

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]aniline?
The IUPAC name of 2-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]aniline (CID 82472251) is 2-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]aniline.
What is the SMILES notation for 2-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]aniline?
The canonical SMILES for 2-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]aniline is Cc1csc(CCc2ccccc2N)n1.
What is the InChIKey of 2-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]aniline?
The InChIKey is CCVLLXPKESZKAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2S/c1-9-8-15-12(14-9)7-6-10-4-2-3-5-11(10)13/h2-5,8H,6-7,13H2,1H3.
What are the key properties of 2-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]aniline?
2-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]aniline has a molecular weight of 218.33 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]aniline is sourced from PubChem (CID 82472251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).