4-(4-methyl-2-phenyl-1,3-thiazol-5-yl)aniline

C16H14N2S — CID 58200398

IUPAC4-(4-methyl-2-phenyl-1,3-thiazol-5-yl)aniline
SMILESCc1nc(-c2ccccc2)sc1-c1ccc(N)cc1
InChIInChI=1S/C16H14N2S/c1-11-15(12-7-9-14(17)10-8-12)19-16(18-11)13-5-3-2-4-6-13/h2-10H,17H2,1H3
InChIKeySZUUISKYLZUOFT-UHFFFAOYSA-N
MW266.37 g/mol
LogP4.37
Rot. Bonds2

About 4-(4-methyl-2-phenyl-1,3-thiazol-5-yl)aniline

4-(4-methyl-2-phenyl-1,3-thiazol-5-yl)aniline (PubChem CID 58200398) has the molecular formula C16H14N2S and a molecular weight of 266.37 g/mol. Its IUPAC name is 4-(4-methyl-2-phenyl-1,3-thiazol-5-yl)aniline.

Molecular Properties

Compound Name4-(4-methyl-2-phenyl-1,3-thiazol-5-yl)aniline
PubChem CID58200398
Molecular FormulaC16H14N2S
Molecular Weight266.37 g/mol
Exact Mass266.09
IUPAC Name4-(4-methyl-2-phenyl-1,3-thiazol-5-yl)aniline
SMILESCc1nc(-c2ccccc2)sc1-c1ccc(N)cc1
InChIInChI=1S/C16H14N2S/c1-11-15(12-7-9-14(17)10-8-12)19-16(18-11)13-5-3-2-4-6-13/h2-10H,17H2,1H3
InChIKeySZUUISKYLZUOFT-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 4-(4-methyl-2-phenyl-1,3-thiazol-5-yl)aniline?
The IUPAC name of 4-(4-methyl-2-phenyl-1,3-thiazol-5-yl)aniline (CID 58200398) is 4-(4-methyl-2-phenyl-1,3-thiazol-5-yl)aniline.
What is the SMILES notation for 4-(4-methyl-2-phenyl-1,3-thiazol-5-yl)aniline?
The canonical SMILES for 4-(4-methyl-2-phenyl-1,3-thiazol-5-yl)aniline is Cc1nc(-c2ccccc2)sc1-c1ccc(N)cc1.
What is the InChIKey of 4-(4-methyl-2-phenyl-1,3-thiazol-5-yl)aniline?
The InChIKey is SZUUISKYLZUOFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2S/c1-11-15(12-7-9-14(17)10-8-12)19-16(18-11)13-5-3-2-4-6-13/h2-10H,17H2,1H3.
What are the key properties of 4-(4-methyl-2-phenyl-1,3-thiazol-5-yl)aniline?
4-(4-methyl-2-phenyl-1,3-thiazol-5-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 4-(4-methyl-2-phenyl-1,3-thiazol-5-yl)aniline is sourced from PubChem (CID 58200398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).