5-benzyl-4-(3-methylphenyl)-1,3-thiazol-2-amine

C17H16N2S — CID 82106454

IUPAC5-benzyl-4-(3-methylphenyl)-1,3-thiazol-2-amine
SMILESCc1cccc(-c2nc(N)sc2Cc2ccccc2)c1
InChIInChI=1S/C17H16N2S/c1-12-6-5-9-14(10-12)16-15(20-17(18)19-16)11-13-7-3-2-4-8-13/h2-10H,11H2,1H3,(H2,18,19)
InChIKeyWVIAWCMTDVFJRU-UHFFFAOYSA-N
MW280.40 g/mol
LogP4.29
Rot. Bonds3

About 5-benzyl-4-(3-methylphenyl)-1,3-thiazol-2-amine

5-benzyl-4-(3-methylphenyl)-1,3-thiazol-2-amine (PubChem CID 82106454) has the molecular formula C17H16N2S and a molecular weight of 280.40 g/mol. Its IUPAC name is 5-benzyl-4-(3-methylphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-benzyl-4-(3-methylphenyl)-1,3-thiazol-2-amine
PubChem CID82106454
Molecular FormulaC17H16N2S
Molecular Weight280.40 g/mol
Exact Mass280.10
IUPAC Name5-benzyl-4-(3-methylphenyl)-1,3-thiazol-2-amine
SMILESCc1cccc(-c2nc(N)sc2Cc2ccccc2)c1
InChIInChI=1S/C17H16N2S/c1-12-6-5-9-14(10-12)16-15(20-17(18)19-16)11-13-7-3-2-4-8-13/h2-10H,11H2,1H3,(H2,18,19)
InChIKeyWVIAWCMTDVFJRU-UHFFFAOYSA-N
XLogP4.29
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.40
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-benzyl-4-phenyl-1,3-thiazol-2-amine
CID 57476891
[5-benzyl-4-(3-methylphenyl)-1,3-thiazol-2-yl]methanamine
CID 82106460
4-(3-fluorophenyl)-5-(pyridin-4-ylmethyl)-1,3-thiazol-2-amine
CID 82106478
4-(3-methylphenyl)-2-phenyl-1,3-thiazol-5-amine
CID 55034297
4-phenyl-5-(2-phenylethyl)-1,3-thiazol-2-amine
CID 88924616
N-methyl-1-[2-(3-methylphenyl)-4-phenyl-1,3-thiazol-5-yl]methanamine
CID 81178171
5-[(2,3-dimethoxyphenyl)methyl]-4-phenyl-1,3-thiazol-2-amine
CID 82186056
5-ethyl-4-(3-methylphenyl)-1,3-thiazole-2-carbaldehyde
CID 105489991
N-benzyl-5-methyl-4-(3-methylphenyl)-1,3-thiazol-2-amine
CID 130556985
5-pentyl-4-phenyl-1,3-thiazol-2-amine
CID 3356434
2-(2-amino-4-phenyl-1,3-thiazol-5-yl)-N,N-dibenzylacetamide
CID 11569500
4-benzyl-2-(3-methylphenyl)-1-phenylbenzene
CID 19607190

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-4-(3-methylphenyl)-1,3-thiazol-2-amine?
The IUPAC name of 5-benzyl-4-(3-methylphenyl)-1,3-thiazol-2-amine (CID 82106454) is 5-benzyl-4-(3-methylphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-benzyl-4-(3-methylphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-benzyl-4-(3-methylphenyl)-1,3-thiazol-2-amine is Cc1cccc(-c2nc(N)sc2Cc2ccccc2)c1.
What is the InChIKey of 5-benzyl-4-(3-methylphenyl)-1,3-thiazol-2-amine?
The InChIKey is WVIAWCMTDVFJRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2S/c1-12-6-5-9-14(10-12)16-15(20-17(18)19-16)11-13-7-3-2-4-8-13/h2-10H,11H2,1H3,(H2,18,19).
What are the key properties of 5-benzyl-4-(3-methylphenyl)-1,3-thiazol-2-amine?
5-benzyl-4-(3-methylphenyl)-1,3-thiazol-2-amine has a molecular weight of 280.40 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-4-(3-methylphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 82106454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).