2-[4-(4-ethylphenyl)-5-methyl-1,3-thiazol-2-yl]aniline

C18H18N2S — CID 60707088

IUPAC2-[4-(4-ethylphenyl)-5-methyl-1,3-thiazol-2-yl]aniline
SMILESCCc1ccc(-c2nc(-c3ccccc3N)sc2C)cc1
InChIInChI=1S/C18H18N2S/c1-3-13-8-10-14(11-9-13)17-12(2)21-18(20-17)15-6-4-5-7-16(15)19/h4-11H,3,19H2,1-2H3
InChIKeyOZQZVSQFAVSLDM-UHFFFAOYSA-N
MW294.42 g/mol
LogP4.93
Rot. Bonds3

About 2-[4-(4-ethylphenyl)-5-methyl-1,3-thiazol-2-yl]aniline

2-[4-(4-ethylphenyl)-5-methyl-1,3-thiazol-2-yl]aniline (PubChem CID 60707088) has the molecular formula C18H18N2S and a molecular weight of 294.42 g/mol. Its IUPAC name is 2-[4-(4-ethylphenyl)-5-methyl-1,3-thiazol-2-yl]aniline.

Molecular Properties

Compound Name2-[4-(4-ethylphenyl)-5-methyl-1,3-thiazol-2-yl]aniline
PubChem CID60707088
Molecular FormulaC18H18N2S
Molecular Weight294.42 g/mol
Exact Mass294.12
IUPAC Name2-[4-(4-ethylphenyl)-5-methyl-1,3-thiazol-2-yl]aniline
SMILESCCc1ccc(-c2nc(-c3ccccc3N)sc2C)cc1
InChIInChI=1S/C18H18N2S/c1-3-13-8-10-14(11-9-13)17-12(2)21-18(20-17)15-6-4-5-7-16(15)19/h4-11H,3,19H2,1-2H3
InChIKeyOZQZVSQFAVSLDM-UHFFFAOYSA-N
XLogP4.93
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 54.93
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-[4-(4-ethylphenyl)-5-methyl-1,3-thiazol-2-yl]aniline?
The IUPAC name of 2-[4-(4-ethylphenyl)-5-methyl-1,3-thiazol-2-yl]aniline (CID 60707088) is 2-[4-(4-ethylphenyl)-5-methyl-1,3-thiazol-2-yl]aniline.
What is the SMILES notation for 2-[4-(4-ethylphenyl)-5-methyl-1,3-thiazol-2-yl]aniline?
The canonical SMILES for 2-[4-(4-ethylphenyl)-5-methyl-1,3-thiazol-2-yl]aniline is CCc1ccc(-c2nc(-c3ccccc3N)sc2C)cc1.
What is the InChIKey of 2-[4-(4-ethylphenyl)-5-methyl-1,3-thiazol-2-yl]aniline?
The InChIKey is OZQZVSQFAVSLDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2S/c1-3-13-8-10-14(11-9-13)17-12(2)21-18(20-17)15-6-4-5-7-16(15)19/h4-11H,3,19H2,1-2H3.
What are the key properties of 2-[4-(4-ethylphenyl)-5-methyl-1,3-thiazol-2-yl]aniline?
2-[4-(4-ethylphenyl)-5-methyl-1,3-thiazol-2-yl]aniline has a molecular weight of 294.42 g/mol, XLogP of 4.93, 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)-5-methyl-1,3-thiazol-2-yl]aniline is sourced from PubChem (CID 60707088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).