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

C13H16N2OS — CID 116864413

IUPAC2-(4-methoxy-2,5-dimethylphenyl)-N-methyl-1,3-thiazol-4-amine
SMILESCNc1csc(-c2cc(C)c(OC)cc2C)n1
InChIInChI=1S/C13H16N2OS/c1-8-6-11(16-4)9(2)5-10(8)13-15-12(14-3)7-17-13/h5-7,14H,1-4H3
InChIKeyPJNXJXFABIQGDI-UHFFFAOYSA-N
MW248.35 g/mol
LogP3.48
Rot. Bonds3

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

2-(4-methoxy-2,5-dimethylphenyl)-N-methyl-1,3-thiazol-4-amine (PubChem CID 116864413) has the molecular formula C13H16N2OS and a molecular weight of 248.35 g/mol. Its IUPAC name is 2-(4-methoxy-2,5-dimethylphenyl)-N-methyl-1,3-thiazol-4-amine.

Molecular Properties

Compound Name2-(4-methoxy-2,5-dimethylphenyl)-N-methyl-1,3-thiazol-4-amine
PubChem CID116864413
Molecular FormulaC13H16N2OS
Molecular Weight248.35 g/mol
Exact Mass248.10
IUPAC Name2-(4-methoxy-2,5-dimethylphenyl)-N-methyl-1,3-thiazol-4-amine
SMILESCNc1csc(-c2cc(C)c(OC)cc2C)n1
InChIInChI=1S/C13H16N2OS/c1-8-6-11(16-4)9(2)5-10(8)13-15-12(14-3)7-17-13/h5-7,14H,1-4H3
InChIKeyPJNXJXFABIQGDI-UHFFFAOYSA-N
XLogP3.48
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-2-(4-methoxy-2,5-dimethylphenyl)-1,3-thiazole
CID 116891772
4-(4-methoxy-2,5-dimethylphenyl)-2-methyl-1,3-thiazole
CID 82129098
N-methyl-2-(2,3,4-trimethylphenyl)-1,3-thiazol-4-amine
CID 116864476
2-(4-ethoxy-3-methylphenyl)-N-methyl-1,3-thiazol-4-amine
CID 116864423
2-(2-chloro-4-methoxyphenyl)-N-methyl-1,3-thiazol-4-amine
CID 116864439
4-methyl-2-(2,4,5-trimethylphenyl)-1,3-thiazole
CID 116891909
2-(4,5-dimethoxy-2-methylphenyl)-1,3-thiazole-4-carbaldehyde
CID 116889414
5-bromo-2-(4-methoxy-2,5-dimethylphenyl)-1,3-thiazol-4-amine
CID 116864302
4-(4-methoxy-2,5-dimethylphenyl)-N-methylaniline
CID 116962460
[2-(2-methoxy-4,6-dimethylphenyl)-1,3-thiazol-4-yl]hydrazine
CID 116892118
1,4-dimethoxy-2,5-dimethylbenzene;dihydrochloride
CID 172845974
[4-(4-methoxy-2,5-dimethylphenyl)-6-methyl-1,3,5-triazin-2-yl]methanamine
CID 82483544

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-2,5-dimethylphenyl)-N-methyl-1,3-thiazol-4-amine?
The IUPAC name of 2-(4-methoxy-2,5-dimethylphenyl)-N-methyl-1,3-thiazol-4-amine (CID 116864413) is 2-(4-methoxy-2,5-dimethylphenyl)-N-methyl-1,3-thiazol-4-amine.
What is the SMILES notation for 2-(4-methoxy-2,5-dimethylphenyl)-N-methyl-1,3-thiazol-4-amine?
The canonical SMILES for 2-(4-methoxy-2,5-dimethylphenyl)-N-methyl-1,3-thiazol-4-amine is CNc1csc(-c2cc(C)c(OC)cc2C)n1.
What is the InChIKey of 2-(4-methoxy-2,5-dimethylphenyl)-N-methyl-1,3-thiazol-4-amine?
The InChIKey is PJNXJXFABIQGDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS/c1-8-6-11(16-4)9(2)5-10(8)13-15-12(14-3)7-17-13/h5-7,14H,1-4H3.
What are the key properties of 2-(4-methoxy-2,5-dimethylphenyl)-N-methyl-1,3-thiazol-4-amine?
2-(4-methoxy-2,5-dimethylphenyl)-N-methyl-1,3-thiazol-4-amine has a molecular weight of 248.35 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-2,5-dimethylphenyl)-N-methyl-1,3-thiazol-4-amine is sourced from PubChem (CID 116864413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).