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

C17H16N2S — CID 60707173

IUPAC2-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]aniline
SMILESCCc1ccc(-c2csc(-c3ccccc3N)n2)cc1
InChIInChI=1S/C17H16N2S/c1-2-12-7-9-13(10-8-12)16-11-20-17(19-16)14-5-3-4-6-15(14)18/h3-11H,2,18H2,1H3
InChIKeyVLKFTLUWTPNKSN-UHFFFAOYSA-N
MW280.40 g/mol
LogP4.62
Rot. Bonds3

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

2-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]aniline (PubChem CID 60707173) has the molecular formula C17H16N2S and a molecular weight of 280.40 g/mol. Its IUPAC name is 2-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]aniline.

Molecular Properties

Compound Name2-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]aniline
PubChem CID60707173
Molecular FormulaC17H16N2S
Molecular Weight280.40 g/mol
Exact Mass280.10
IUPAC Name2-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]aniline
SMILESCCc1ccc(-c2csc(-c3ccccc3N)n2)cc1
InChIInChI=1S/C17H16N2S/c1-2-12-7-9-13(10-8-12)16-11-20-17(19-16)14-5-3-4-6-15(14)18/h3-11H,2,18H2,1H3
InChIKeyVLKFTLUWTPNKSN-UHFFFAOYSA-N
XLogP4.62
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.40
LogP ≤ 54.62
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-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]aniline
CID 12621900
4-(4-ethylphenyl)-2-pyridin-3-yl-1,3-thiazole
CID 849786
4-(4-ethylphenyl)-2-methyl-1,3-thiazole
CID 19240269
2-[2-(4-ethylphenyl)phenyl]aniline
CID 150274676
2-[4-(4-ethylphenyl)-5-methyl-1,3-thiazol-2-yl]aniline
CID 60707088
2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]aniline
CID 61268827
4-[4-(4-propylphenyl)-1,3-thiazol-2-yl]aniline
CID 43667849
2-[2-(4-bromophenyl)-1,3-thiazol-4-yl]aniline
CID 61269008
2-[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]aniline
CID 63447079
3-(4-chlorophenyl)-5-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]triazol-4-amine
CID 53034271
2-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]acetonitrile
CID 24703190
2-[2-[(4-methylphenyl)methyl]-1,3-thiazol-4-yl]aniline
CID 62331131

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]aniline?
The IUPAC name of 2-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]aniline (CID 60707173) is 2-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]aniline.
What is the SMILES notation for 2-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]aniline?
The canonical SMILES for 2-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]aniline is CCc1ccc(-c2csc(-c3ccccc3N)n2)cc1.
What is the InChIKey of 2-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]aniline?
The InChIKey is VLKFTLUWTPNKSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2S/c1-2-12-7-9-13(10-8-12)16-11-20-17(19-16)14-5-3-4-6-15(14)18/h3-11H,2,18H2,1H3.
What are the key properties of 2-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]aniline?
2-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]aniline has a molecular weight of 280.40 g/mol, XLogP of 4.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]aniline is sourced from PubChem (CID 60707173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).