4-(3,4-dimethylphenyl)-N-(3-methylphenyl)-1,3-thiazol-2-amine

C18H18N2S — CID 873210

IUPAC4-(3,4-dimethylphenyl)-N-(3-methylphenyl)-1,3-thiazol-2-amine
SMILESCc1cccc(Nc2nc(-c3ccc(C)c(C)c3)cs2)c1
InChIInChI=1S/C18H18N2S/c1-12-5-4-6-16(9-12)19-18-20-17(11-21-18)15-8-7-13(2)14(3)10-15/h4-11H,1-3H3,(H,19,20)
InChIKeyFNRRSDCMOWMWCT-UHFFFAOYSA-N
MW294.42 g/mol
LogP5.48
Rot. Bonds3

About 4-(3,4-dimethylphenyl)-N-(3-methylphenyl)-1,3-thiazol-2-amine

4-(3,4-dimethylphenyl)-N-(3-methylphenyl)-1,3-thiazol-2-amine (PubChem CID 873210) has the molecular formula C18H18N2S and a molecular weight of 294.42 g/mol. Its IUPAC name is 4-(3,4-dimethylphenyl)-N-(3-methylphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(3,4-dimethylphenyl)-N-(3-methylphenyl)-1,3-thiazol-2-amine
PubChem CID873210
Molecular FormulaC18H18N2S
Molecular Weight294.42 g/mol
Exact Mass294.12
IUPAC Name4-(3,4-dimethylphenyl)-N-(3-methylphenyl)-1,3-thiazol-2-amine
SMILESCc1cccc(Nc2nc(-c3ccc(C)c(C)c3)cs2)c1
InChIInChI=1S/C18H18N2S/c1-12-5-4-6-16(9-12)19-18-20-17(11-21-18)15-8-7-13(2)14(3)10-15/h4-11H,1-3H3,(H,19,20)
InChIKeyFNRRSDCMOWMWCT-UHFFFAOYSA-N
XLogP5.48
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.42
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]amino]phenol
CID 873220
4-(4-iodophenyl)-N-(3-methylphenyl)-1,3-thiazol-2-amine
CID 560642
N,4-bis(3,4-dimethylphenyl)-1,3-thiazol-2-amine;hydrobromide
CID 2858486
N-(3-chloro-4-methylphenyl)-4-(3,4-dimethylphenyl)-1,3-thiazol-2-amine;hydrobromide
CID 2859307
N-(3,4-dimethylphenyl)-4-(4-phenylphenyl)-1,3-thiazol-2-amine
CID 3721108
N-(3,4-dimethylphenyl)-4-phenyl-1,3-thiazol-2-amine
CID 753967
N-(3,4-dimethylphenyl)-4-phenyl-1,3-thiazol-2-amine;ethane
CID 91283216
[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]hydrazine
CID 7174047
3-methyl-6-[2-(3-methylanilino)-1,3-thiazol-4-yl]-1,3-benzoxazol-2-one
CID 47092547
4-(2-fluoro-5-methylphenyl)-N-(3-methylphenyl)-1,3-thiazol-2-amine
CID 71396303
4-(3,4-dimethylphenyl)-N-propan-2-yl-1,3-thiazol-2-amine
CID 8878327
N-[3-[2-(3-methylanilino)-1,3-thiazol-4-yl]phenyl]thiophene-2-carboxamide
CID 5039153

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethylphenyl)-N-(3-methylphenyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(3,4-dimethylphenyl)-N-(3-methylphenyl)-1,3-thiazol-2-amine (CID 873210) is 4-(3,4-dimethylphenyl)-N-(3-methylphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(3,4-dimethylphenyl)-N-(3-methylphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(3,4-dimethylphenyl)-N-(3-methylphenyl)-1,3-thiazol-2-amine is Cc1cccc(Nc2nc(-c3ccc(C)c(C)c3)cs2)c1.
What is the InChIKey of 4-(3,4-dimethylphenyl)-N-(3-methylphenyl)-1,3-thiazol-2-amine?
The InChIKey is FNRRSDCMOWMWCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2S/c1-12-5-4-6-16(9-12)19-18-20-17(11-21-18)15-8-7-13(2)14(3)10-15/h4-11H,1-3H3,(H,19,20).
What are the key properties of 4-(3,4-dimethylphenyl)-N-(3-methylphenyl)-1,3-thiazol-2-amine?
4-(3,4-dimethylphenyl)-N-(3-methylphenyl)-1,3-thiazol-2-amine has a molecular weight of 294.42 g/mol, XLogP of 5.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethylphenyl)-N-(3-methylphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 873210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).