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

C17H16N2S — CID 82164375

IUPAC2-methyl-5-[2-(4-methylphenyl)-1,3-thiazol-4-yl]aniline
SMILESCc1ccc(-c2nc(-c3ccc(C)c(N)c3)cs2)cc1
InChIInChI=1S/C17H16N2S/c1-11-3-6-13(7-4-11)17-19-16(10-20-17)14-8-5-12(2)15(18)9-14/h3-10H,18H2,1-2H3
InChIKeyXHIWYCBTJZKFJY-UHFFFAOYSA-N
MW280.40 g/mol
LogP4.68
Rot. Bonds2

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

2-methyl-5-[2-(4-methylphenyl)-1,3-thiazol-4-yl]aniline (PubChem CID 82164375) has the molecular formula C17H16N2S and a molecular weight of 280.40 g/mol. Its IUPAC name is 2-methyl-5-[2-(4-methylphenyl)-1,3-thiazol-4-yl]aniline.

Molecular Properties

Compound Name2-methyl-5-[2-(4-methylphenyl)-1,3-thiazol-4-yl]aniline
PubChem CID82164375
Molecular FormulaC17H16N2S
Molecular Weight280.40 g/mol
Exact Mass280.10
IUPAC Name2-methyl-5-[2-(4-methylphenyl)-1,3-thiazol-4-yl]aniline
SMILESCc1ccc(-c2nc(-c3ccc(C)c(N)c3)cs2)cc1
InChIInChI=1S/C17H16N2S/c1-11-3-6-13(7-4-11)17-19-16(10-20-17)14-8-5-12(2)15(18)9-14/h3-10H,18H2,1-2H3
InChIKeyXHIWYCBTJZKFJY-UHFFFAOYSA-N
XLogP4.68
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.40
LogP ≤ 54.68
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-bromo-5-[2-(4-methylphenyl)-1,3-thiazol-4-yl]aniline
CID 39164069
4-(4-methyl-3-nitrophenyl)-2-(4-methylphenyl)-1,3-thiazole
CID 19096613
4-(3-chlorophenyl)-2-(4-methylphenyl)-1,3-thiazole
CID 150697593
2-(2,6-dichloro-4-pyridinyl)-4-(4-methylphenyl)-1,3-thiazole
CID 2798615
3-[2-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-4-yl]aniline
CID 107504187
[3-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methanamine
CID 20983736
4-(3,4-dimethylphenyl)-1,3-thiazol-2-amine;hydrochloride
CID 2870539
2-[2-amino-4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenoxy]ethanol
CID 82152286
5-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-propoxyaniline
CID 82152285
4-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]benzenesulfonamide
CID 60620529
2-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-5-methyl-4-(4-methylphenyl)-1,3-thiazole
CID 46339242
2-methyl-5-[(4-phenyl-1,3-thiazol-2-yl)methyl]aniline
CID 79817066

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[2-(4-methylphenyl)-1,3-thiazol-4-yl]aniline?
The IUPAC name of 2-methyl-5-[2-(4-methylphenyl)-1,3-thiazol-4-yl]aniline (CID 82164375) is 2-methyl-5-[2-(4-methylphenyl)-1,3-thiazol-4-yl]aniline.
What is the SMILES notation for 2-methyl-5-[2-(4-methylphenyl)-1,3-thiazol-4-yl]aniline?
The canonical SMILES for 2-methyl-5-[2-(4-methylphenyl)-1,3-thiazol-4-yl]aniline is Cc1ccc(-c2nc(-c3ccc(C)c(N)c3)cs2)cc1.
What is the InChIKey of 2-methyl-5-[2-(4-methylphenyl)-1,3-thiazol-4-yl]aniline?
The InChIKey is XHIWYCBTJZKFJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2S/c1-11-3-6-13(7-4-11)17-19-16(10-20-17)14-8-5-12(2)15(18)9-14/h3-10H,18H2,1-2H3.
What are the key properties of 2-methyl-5-[2-(4-methylphenyl)-1,3-thiazol-4-yl]aniline?
2-methyl-5-[2-(4-methylphenyl)-1,3-thiazol-4-yl]aniline has a molecular weight of 280.40 g/mol, XLogP of 4.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[2-(4-methylphenyl)-1,3-thiazol-4-yl]aniline is sourced from PubChem (CID 82164375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).