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

C16H14N2S — CID 6621417

IUPAC2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]aniline
SMILESCc1ccc(-c2csc(-c3ccccc3N)n2)cc1
InChIInChI=1S/C16H14N2S/c1-11-6-8-12(9-7-11)15-10-19-16(18-15)13-4-2-3-5-14(13)17/h2-10H,17H2,1H3
InChIKeyVNPVDLHHSAPXHZ-UHFFFAOYSA-N
MW266.37 g/mol
LogP4.37
Rot. Bonds2

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

2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]aniline (PubChem CID 6621417) has the molecular formula C16H14N2S and a molecular weight of 266.37 g/mol. Its IUPAC name is 2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]aniline.

Molecular Properties

Compound Name2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]aniline
PubChem CID6621417
Molecular FormulaC16H14N2S
Molecular Weight266.37 g/mol
Exact Mass266.09
IUPAC Name2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]aniline
SMILESCc1ccc(-c2csc(-c3ccccc3N)n2)cc1
InChIInChI=1S/C16H14N2S/c1-11-6-8-12(9-7-11)15-10-19-16(18-15)13-4-2-3-5-14(13)17/h2-10H,17H2,1H3
InChIKeyVNPVDLHHSAPXHZ-UHFFFAOYSA-N
XLogP4.37
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 54.37
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-methylphenyl)-1,3-thiazol-2-yl]aniline?
The IUPAC name of 2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]aniline (CID 6621417) is 2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]aniline.
What is the SMILES notation for 2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]aniline?
The canonical SMILES for 2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]aniline is Cc1ccc(-c2csc(-c3ccccc3N)n2)cc1.
What is the InChIKey of 2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]aniline?
The InChIKey is VNPVDLHHSAPXHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2S/c1-11-6-8-12(9-7-11)15-10-19-16(18-15)13-4-2-3-5-14(13)17/h2-10H,17H2,1H3.
What are the key properties of 2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]aniline?
2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]aniline has a molecular weight of 266.37 g/mol, XLogP of 4.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]aniline is sourced from PubChem (CID 6621417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).