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

C16H14N2S — CID 135222578

IUPAC4-(5-benzyl-1,3-thiazol-2-yl)aniline
SMILESNc1ccc(-c2ncc(Cc3ccccc3)s2)cc1
InChIInChI=1S/C16H14N2S/c17-14-8-6-13(7-9-14)16-18-11-15(19-16)10-12-4-2-1-3-5-12/h1-9,11H,10,17H2
InChIKeyRMDFPLGJEJDPFJ-UHFFFAOYSA-N
MW266.37 g/mol
LogP3.98
Rot. Bonds3

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

4-(5-benzyl-1,3-thiazol-2-yl)aniline (PubChem CID 135222578) has the molecular formula C16H14N2S and a molecular weight of 266.37 g/mol. Its IUPAC name is 4-(5-benzyl-1,3-thiazol-2-yl)aniline.

Molecular Properties

Compound Name4-(5-benzyl-1,3-thiazol-2-yl)aniline
PubChem CID135222578
Molecular FormulaC16H14N2S
Molecular Weight266.37 g/mol
Exact Mass266.09
IUPAC Name4-(5-benzyl-1,3-thiazol-2-yl)aniline
SMILESNc1ccc(-c2ncc(Cc3ccccc3)s2)cc1
InChIInChI=1S/C16H14N2S/c17-14-8-6-13(7-9-14)16-18-11-15(19-16)10-12-4-2-1-3-5-12/h1-9,11H,10,17H2
InChIKeyRMDFPLGJEJDPFJ-UHFFFAOYSA-N
XLogP3.98
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 53.98
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

5-benzyl-2-tert-butyl-1,3-thiazole
CID 59286620
1-[4-(5-benzyl-1,3-thiazol-2-yl)phenyl]-3-(1H-pyrazol-4-ylmethyl)urea
CID 135223230
5-butyl-2-phenyl-1,3-thiazole
CID 67548106
2,5-bis(4-benzylphenyl)-[1,3]thiazolo[5,4-d][1,3]thiazole
CID 166805666
[2-(4-fluorophenyl)-1,3-thiazol-5-yl]methanamine
CID 61280356
[2-(4-tert-butylphenyl)-1,3-thiazol-5-yl]methanethiol
CID 82424310
4-(4-aminophenyl)aniline;prop-2-enylbenzene
CID 175268611
4-(4-methyl-2-phenyl-1,3-thiazol-5-yl)aniline
CID 58200398
5-(pyridin-3-ylmethyl)-1,3-thiazol-2-amine
CID 87629601
5-[(4-methylphenyl)methyl]-2-(1,3-thiazol-5-yl)-1,3-thiazole
CID 167753539
[2-(4-isocyanophenyl)-1,3-thiazol-5-yl]methanamine
CID 140907479
1-[2-(4-methylphenyl)-1,3-thiazol-5-yl]propan-2-ol
CID 115091903

Frequently Asked Questions

What is the IUPAC name of 4-(5-benzyl-1,3-thiazol-2-yl)aniline?
The IUPAC name of 4-(5-benzyl-1,3-thiazol-2-yl)aniline (CID 135222578) is 4-(5-benzyl-1,3-thiazol-2-yl)aniline.
What is the SMILES notation for 4-(5-benzyl-1,3-thiazol-2-yl)aniline?
The canonical SMILES for 4-(5-benzyl-1,3-thiazol-2-yl)aniline is Nc1ccc(-c2ncc(Cc3ccccc3)s2)cc1.
What is the InChIKey of 4-(5-benzyl-1,3-thiazol-2-yl)aniline?
The InChIKey is RMDFPLGJEJDPFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2S/c17-14-8-6-13(7-9-14)16-18-11-15(19-16)10-12-4-2-1-3-5-12/h1-9,11H,10,17H2.
What are the key properties of 4-(5-benzyl-1,3-thiazol-2-yl)aniline?
4-(5-benzyl-1,3-thiazol-2-yl)aniline has a molecular weight of 266.37 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-benzyl-1,3-thiazol-2-yl)aniline is sourced from PubChem (CID 135222578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).