N-(3,5-dimethylphenyl)-5-methyl-4-phenyl-1,3-thiazol-2-amine

C18H18N2S — CID 53387374

IUPACN-(3,5-dimethylphenyl)-5-methyl-4-phenyl-1,3-thiazol-2-amine
SMILESCc1cc(C)cc(Nc2nc(-c3ccccc3)c(C)s2)c1
InChIInChI=1S/C18H18N2S/c1-12-9-13(2)11-16(10-12)19-18-20-17(14(3)21-18)15-7-5-4-6-8-15/h4-11H,1-3H3,(H,19,20)
InChIKeyGMIQCVKVISDXGR-UHFFFAOYSA-N
MW294.42 g/mol
LogP5.48
Rot. Bonds3

About N-(3,5-dimethylphenyl)-5-methyl-4-phenyl-1,3-thiazol-2-amine

N-(3,5-dimethylphenyl)-5-methyl-4-phenyl-1,3-thiazol-2-amine (PubChem CID 53387374) has the molecular formula C18H18N2S and a molecular weight of 294.42 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-5-methyl-4-phenyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-5-methyl-4-phenyl-1,3-thiazol-2-amine
PubChem CID53387374
Molecular FormulaC18H18N2S
Molecular Weight294.42 g/mol
Exact Mass294.12
IUPAC NameN-(3,5-dimethylphenyl)-5-methyl-4-phenyl-1,3-thiazol-2-amine
SMILESCc1cc(C)cc(Nc2nc(-c3ccccc3)c(C)s2)c1
InChIInChI=1S/C18H18N2S/c1-12-9-13(2)11-16(10-12)19-18-20-17(14(3)21-18)15-7-5-4-6-8-15/h4-11H,1-3H3,(H,19,20)
InChIKeyGMIQCVKVISDXGR-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

4-methyl-1-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)benzene-1,3-diamine
CID 82059125
N-(2-bromophenyl)-5-methyl-4-phenyl-1,3-thiazol-2-amine;hydrochloride
CID 45053016
N-(3,5-dimethylphenyl)-4,5-dimethyl-1,3-thiazol-2-amine
CID 9268603
N-(2-chlorophenyl)-5-methyl-4-phenyl-1,3-thiazol-2-amine
CID 2368851
4-N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]benzene-1,4-diamine
CID 53387372
3-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)amino]-N-(2-oxopropyl)benzamide
CID 164624853
N-benzyl-5-methyl-4-phenyl-1,3-thiazol-2-amine
CID 2441520
4-(3,4-dichlorophenyl)-5-methyl-N-(4-methylphenyl)-1,3-thiazol-2-amine
CID 126050050
N-(2-chlorophenyl)-5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-amine
CID 53338366
N-(4-bromophenyl)-4-(3,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-amine
CID 126054464
N-(3,5-dichlorophenyl)-4-(3,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-amine
CID 126055578
N,N'-bis(5-methyl-4-phenyl-1,3-thiazol-2-yl)butanediamide
CID 3493678

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-5-methyl-4-phenyl-1,3-thiazol-2-amine?
The IUPAC name of N-(3,5-dimethylphenyl)-5-methyl-4-phenyl-1,3-thiazol-2-amine (CID 53387374) is N-(3,5-dimethylphenyl)-5-methyl-4-phenyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-(3,5-dimethylphenyl)-5-methyl-4-phenyl-1,3-thiazol-2-amine?
The canonical SMILES for N-(3,5-dimethylphenyl)-5-methyl-4-phenyl-1,3-thiazol-2-amine is Cc1cc(C)cc(Nc2nc(-c3ccccc3)c(C)s2)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-5-methyl-4-phenyl-1,3-thiazol-2-amine?
The InChIKey is GMIQCVKVISDXGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2S/c1-12-9-13(2)11-16(10-12)19-18-20-17(14(3)21-18)15-7-5-4-6-8-15/h4-11H,1-3H3,(H,19,20).
What are the key properties of N-(3,5-dimethylphenyl)-5-methyl-4-phenyl-1,3-thiazol-2-amine?
N-(3,5-dimethylphenyl)-5-methyl-4-phenyl-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 N-(3,5-dimethylphenyl)-5-methyl-4-phenyl-1,3-thiazol-2-amine is sourced from PubChem (CID 53387374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).