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

C18H18N2S — CID 130556985

IUPACN-benzyl-5-methyl-4-(3-methylphenyl)-1,3-thiazol-2-amine
SMILESCc1cccc(-c2nc(NCc3ccccc3)sc2C)c1
InChIInChI=1S/C18H18N2S/c1-13-7-6-10-16(11-13)17-14(2)21-18(20-17)19-12-15-8-4-3-5-9-15/h3-11H,12H2,1-2H3,(H,19,20)
InChIKeyNYIVSXOFLDJQRJ-UHFFFAOYSA-N
MW294.42 g/mol
LogP5.04
Rot. Bonds4

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

N-benzyl-5-methyl-4-(3-methylphenyl)-1,3-thiazol-2-amine (PubChem CID 130556985) has the molecular formula C18H18N2S and a molecular weight of 294.42 g/mol. Its IUPAC name is N-benzyl-5-methyl-4-(3-methylphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-benzyl-5-methyl-4-(3-methylphenyl)-1,3-thiazol-2-amine
PubChem CID130556985
Molecular FormulaC18H18N2S
Molecular Weight294.42 g/mol
Exact Mass294.12
IUPAC NameN-benzyl-5-methyl-4-(3-methylphenyl)-1,3-thiazol-2-amine
SMILESCc1cccc(-c2nc(NCc3ccccc3)sc2C)c1
InChIInChI=1S/C18H18N2S/c1-13-7-6-10-16(11-13)17-14(2)21-18(20-17)19-12-15-8-4-3-5-9-15/h3-11H,12H2,1-2H3,(H,19,20)
InChIKeyNYIVSXOFLDJQRJ-UHFFFAOYSA-N
XLogP5.04
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.42
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-5-methyl-4-phenyl-1,3-thiazol-2-amine
CID 2441520
5-methyl-4-phenyl-N-(2-phenylethyl)-1,3-thiazol-2-amine;hydrobromide
CID 20558014
N-[(3-methylphenyl)methyl]-3-phenyl-1,2,4-thiadiazol-5-amine
CID 133316558
N-benzyl-7-methyl-4H-indeno[1,2-d][1,3]thiazol-2-amine
CID 130556969
N-benzyl-6-(3-methylphenyl)pyrazin-2-amine
CID 140905455
N-[(4-methylphenyl)methyl]-5-phenyl-1,3,4-thiadiazol-2-amine
CID 25473399
N-(2-methoxyethyl)-5-methyl-4-phenyl-1,3-thiazol-2-amine
CID 2462730
N-(3,5-dimethylphenyl)-5-methyl-4-phenyl-1,3-thiazol-2-amine
CID 53387374
N'-(5-methyl-4-phenyl-1,3-thiazol-2-yl)propane-1,3-diamine;dihydrochloride
CID 18948824
N-benzyl-4,6-dimethyl-1,3-benzothiazol-2-amine
CID 2376092
2-[5-methyl-4-(3-methylphenyl)-1,3-thiazol-2-yl]ethanamine
CID 82106276
N-ethyl-4-(3-methylphenyl)-5-pyridin-4-yl-1,3-thiazol-2-amine
CID 53437684

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-methyl-4-(3-methylphenyl)-1,3-thiazol-2-amine?
The IUPAC name of N-benzyl-5-methyl-4-(3-methylphenyl)-1,3-thiazol-2-amine (CID 130556985) is N-benzyl-5-methyl-4-(3-methylphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-benzyl-5-methyl-4-(3-methylphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-benzyl-5-methyl-4-(3-methylphenyl)-1,3-thiazol-2-amine is Cc1cccc(-c2nc(NCc3ccccc3)sc2C)c1.
What is the InChIKey of N-benzyl-5-methyl-4-(3-methylphenyl)-1,3-thiazol-2-amine?
The InChIKey is NYIVSXOFLDJQRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2S/c1-13-7-6-10-16(11-13)17-14(2)21-18(20-17)19-12-15-8-4-3-5-9-15/h3-11H,12H2,1-2H3,(H,19,20).
What are the key properties of N-benzyl-5-methyl-4-(3-methylphenyl)-1,3-thiazol-2-amine?
N-benzyl-5-methyl-4-(3-methylphenyl)-1,3-thiazol-2-amine has a molecular weight of 294.42 g/mol, XLogP of 5.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-methyl-4-(3-methylphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 130556985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).