2-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-ethylaniline

C14H18N2S — CID 82275172

IUPAC2-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-ethylaniline
SMILESCCc1ccc(Cc2sc(C)nc2C)c(N)c1
InChIInChI=1S/C14H18N2S/c1-4-11-5-6-12(13(15)7-11)8-14-9(2)16-10(3)17-14/h5-7H,4,8,15H2,1-3H3
InChIKeyKFPSTOSUXLOUBU-UHFFFAOYSA-N
MW246.38 g/mol
LogP3.50
Rot. Bonds3

About 2-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-ethylaniline

2-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-ethylaniline (PubChem CID 82275172) has the molecular formula C14H18N2S and a molecular weight of 246.38 g/mol. Its IUPAC name is 2-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-ethylaniline.

Molecular Properties

Compound Name2-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-ethylaniline
PubChem CID82275172
Molecular FormulaC14H18N2S
Molecular Weight246.38 g/mol
Exact Mass246.12
IUPAC Name2-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-ethylaniline
SMILESCCc1ccc(Cc2sc(C)nc2C)c(N)c1
InChIInChI=1S/C14H18N2S/c1-4-11-5-6-12(13(15)7-11)8-14-9(2)16-10(3)17-14/h5-7H,4,8,15H2,1-3H3
InChIKeyKFPSTOSUXLOUBU-UHFFFAOYSA-N
XLogP3.50
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-ethylaniline?
The IUPAC name of 2-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-ethylaniline (CID 82275172) is 2-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-ethylaniline.
What is the SMILES notation for 2-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-ethylaniline?
The canonical SMILES for 2-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-ethylaniline is CCc1ccc(Cc2sc(C)nc2C)c(N)c1.
What is the InChIKey of 2-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-ethylaniline?
The InChIKey is KFPSTOSUXLOUBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2S/c1-4-11-5-6-12(13(15)7-11)8-14-9(2)16-10(3)17-14/h5-7H,4,8,15H2,1-3H3.
What are the key properties of 2-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-ethylaniline?
2-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-ethylaniline has a molecular weight of 246.38 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-ethylaniline is sourced from PubChem (CID 82275172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).