4-(3,4-dimethoxyphenyl)-5-methyl-N-(2-pyridin-2-ylethyl)-1,3-thiazol-2-amine

C19H21N3O2S — CID 52882687

IUPAC4-(3,4-dimethoxyphenyl)-5-methyl-N-(2-pyridin-2-ylethyl)-1,3-thiazol-2-amine
SMILESCOc1ccc(-c2nc(NCCc3ccccn3)sc2C)cc1OC
InChIInChI=1S/C19H21N3O2S/c1-13-18(14-7-8-16(23-2)17(12-14)24-3)22-19(25-13)21-11-9-15-6-4-5-10-20-15/h4-8,10,12H,9,11H2,1-3H3,(H,21,22)
InChIKeyPTBRUVNVVXUONS-UHFFFAOYSA-N
MW355.46 g/mol
LogP4.19
Rot. Bonds7

About 4-(3,4-dimethoxyphenyl)-5-methyl-N-(2-pyridin-2-ylethyl)-1,3-thiazol-2-amine

4-(3,4-dimethoxyphenyl)-5-methyl-N-(2-pyridin-2-ylethyl)-1,3-thiazol-2-amine (PubChem CID 52882687) has the molecular formula C19H21N3O2S and a molecular weight of 355.46 g/mol. Its IUPAC name is 4-(3,4-dimethoxyphenyl)-5-methyl-N-(2-pyridin-2-ylethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(3,4-dimethoxyphenyl)-5-methyl-N-(2-pyridin-2-ylethyl)-1,3-thiazol-2-amine
PubChem CID52882687
Molecular FormulaC19H21N3O2S
Molecular Weight355.46 g/mol
Exact Mass355.14
IUPAC Name4-(3,4-dimethoxyphenyl)-5-methyl-N-(2-pyridin-2-ylethyl)-1,3-thiazol-2-amine
SMILESCOc1ccc(-c2nc(NCCc3ccccn3)sc2C)cc1OC
InChIInChI=1S/C19H21N3O2S/c1-13-18(14-7-8-16(23-2)17(12-14)24-3)22-19(25-13)21-11-9-15-6-4-5-10-20-15/h4-8,10,12H,9,11H2,1-3H3,(H,21,22)
InChIKeyPTBRUVNVVXUONS-UHFFFAOYSA-N
XLogP4.19
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(3,4-dimethoxyphenyl)-5-methyl-N-(2-pyridin-2-ylethyl)-1,3-thiazol-2-amine with MolForge

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Related Compounds

N-butyl-4-(3,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-amine
CID 52794394
ethyl 5-methyl-2-(2-pyridin-2-ylethylamino)-1,3-thiazole-4-carboxylate
CID 116526337
2-[4-(3,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-N-methylethanamine
CID 82103000
N-[4-(3,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-methoxybenzamide
CID 1347169
4-(3,4-dimethoxyphenyl)-5-methyl-2-(2-phenylethyl)-1,3-thiazole
CID 52794423
5-(3-ethyl-4,5-dimethoxyphenyl)-N-(2-pyridin-2-ylethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 58285860
N-[4-(3,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(dimethylamino)pyridine-3-carboxamide
CID 48998095
2-[[[4-(3,4-dimethoxyphenyl)-5-propyl-1,3-thiazol-2-yl]amino]methyl]phenol
CID 4275057
4-(4-methoxy-3-methylphenyl)-5-methyl-N-(6-phenylpyrimidin-4-yl)-1,3-thiazol-2-amine
CID 108775694
N-[4-(3,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]pentanamide
CID 48998332
5-methyl-4-phenyl-N-(2-phenylethyl)-1,3-thiazol-2-amine;hydrobromide
CID 20558014
N-(2-methoxyethyl)-5-methyl-4-phenyl-1,3-thiazol-2-amine
CID 2462730

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethoxyphenyl)-5-methyl-N-(2-pyridin-2-ylethyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(3,4-dimethoxyphenyl)-5-methyl-N-(2-pyridin-2-ylethyl)-1,3-thiazol-2-amine (CID 52882687) is 4-(3,4-dimethoxyphenyl)-5-methyl-N-(2-pyridin-2-ylethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(3,4-dimethoxyphenyl)-5-methyl-N-(2-pyridin-2-ylethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(3,4-dimethoxyphenyl)-5-methyl-N-(2-pyridin-2-ylethyl)-1,3-thiazol-2-amine is COc1ccc(-c2nc(NCCc3ccccn3)sc2C)cc1OC.
What is the InChIKey of 4-(3,4-dimethoxyphenyl)-5-methyl-N-(2-pyridin-2-ylethyl)-1,3-thiazol-2-amine?
The InChIKey is PTBRUVNVVXUONS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2S/c1-13-18(14-7-8-16(23-2)17(12-14)24-3)22-19(25-13)21-11-9-15-6-4-5-10-20-15/h4-8,10,12H,9,11H2,1-3H3,(H,21,22).
What are the key properties of 4-(3,4-dimethoxyphenyl)-5-methyl-N-(2-pyridin-2-ylethyl)-1,3-thiazol-2-amine?
4-(3,4-dimethoxyphenyl)-5-methyl-N-(2-pyridin-2-ylethyl)-1,3-thiazol-2-amine has a molecular weight of 355.46 g/mol, XLogP of 4.19, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethoxyphenyl)-5-methyl-N-(2-pyridin-2-ylethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 52882687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).