4-[6-(3-methoxyphenyl)-2-methyl-3-pyridinyl]-1,3-thiazol-2-amine

C16H15N3OS — CID 82452981

IUPAC4-[6-(3-methoxyphenyl)-2-methyl-3-pyridinyl]-1,3-thiazol-2-amine
SMILESCOc1cccc(-c2ccc(-c3csc(N)n3)c(C)n2)c1
InChIInChI=1S/C16H15N3OS/c1-10-13(15-9-21-16(17)19-15)6-7-14(18-10)11-4-3-5-12(8-11)20-2/h3-9H,1-2H3,(H2,17,19)
InChIKeyPWMWLLPOIDBETP-UHFFFAOYSA-N
MW297.38 g/mol
LogP3.77
Rot. Bonds3

About 4-[6-(3-methoxyphenyl)-2-methyl-3-pyridinyl]-1,3-thiazol-2-amine

4-[6-(3-methoxyphenyl)-2-methyl-3-pyridinyl]-1,3-thiazol-2-amine (PubChem CID 82452981) has the molecular formula C16H15N3OS and a molecular weight of 297.38 g/mol. Its IUPAC name is 4-[6-(3-methoxyphenyl)-2-methyl-3-pyridinyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[6-(3-methoxyphenyl)-2-methyl-3-pyridinyl]-1,3-thiazol-2-amine
PubChem CID82452981
Molecular FormulaC16H15N3OS
Molecular Weight297.38 g/mol
Exact Mass297.09
IUPAC Name4-[6-(3-methoxyphenyl)-2-methyl-3-pyridinyl]-1,3-thiazol-2-amine
SMILESCOc1cccc(-c2ccc(-c3csc(N)n3)c(C)n2)c1
InChIInChI=1S/C16H15N3OS/c1-10-13(15-9-21-16(17)19-15)6-7-14(18-10)11-4-3-5-12(8-11)20-2/h3-9H,1-2H3,(H2,17,19)
InChIKeyPWMWLLPOIDBETP-UHFFFAOYSA-N
XLogP3.77
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-methoxyphenyl)-6-[5-(3-methoxyphenyl)-6-methyl-2-pyridinyl]-2-methylpyridine
CID 101485058
1-[6-(3-methoxyphenyl)-2-methyl-3-pyridinyl]ethanamine
CID 82452985
4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-amine
CID 675262
3-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]aniline
CID 7148555
5-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-2-methylpyrimidin-4-amine
CID 56829048
6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-amine
CID 82479019
4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-1H-pyrazol-5-amine
CID 60650186
4-[3-[4-(2-methylphenoxy)butoxy]phenyl]-1,3-thiazol-2-amine
CID 28857491
4-(3-cyclopropyloxyphenyl)-1,3-thiazol-2-amine
CID 154668725
N-[[6-(3-methoxyphenyl)-2-methyl-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 82452965
4-[3-(4-phenoxybutoxy)phenyl]-1,3-thiazol-2-amine
CID 28857485
4-[3-(2-methoxypyrimidin-5-yl)phenyl]-1,3-thiazol-2-amine
CID 155410103

Frequently Asked Questions

What is the IUPAC name of 4-[6-(3-methoxyphenyl)-2-methyl-3-pyridinyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[6-(3-methoxyphenyl)-2-methyl-3-pyridinyl]-1,3-thiazol-2-amine (CID 82452981) is 4-[6-(3-methoxyphenyl)-2-methyl-3-pyridinyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[6-(3-methoxyphenyl)-2-methyl-3-pyridinyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[6-(3-methoxyphenyl)-2-methyl-3-pyridinyl]-1,3-thiazol-2-amine is COc1cccc(-c2ccc(-c3csc(N)n3)c(C)n2)c1.
What is the InChIKey of 4-[6-(3-methoxyphenyl)-2-methyl-3-pyridinyl]-1,3-thiazol-2-amine?
The InChIKey is PWMWLLPOIDBETP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3OS/c1-10-13(15-9-21-16(17)19-15)6-7-14(18-10)11-4-3-5-12(8-11)20-2/h3-9H,1-2H3,(H2,17,19).
What are the key properties of 4-[6-(3-methoxyphenyl)-2-methyl-3-pyridinyl]-1,3-thiazol-2-amine?
4-[6-(3-methoxyphenyl)-2-methyl-3-pyridinyl]-1,3-thiazol-2-amine has a molecular weight of 297.38 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(3-methoxyphenyl)-2-methyl-3-pyridinyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 82452981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).