3-(3,4-dimethoxyphenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-1-amine

C16H22N2O2S — CID 83977636

IUPAC3-(3,4-dimethoxyphenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-1-amine
SMILESCOc1ccc(CC(CN)c2nc(C)c(C)s2)cc1OC
InChIInChI=1S/C16H22N2O2S/c1-10-11(2)21-16(18-10)13(9-17)7-12-5-6-14(19-3)15(8-12)20-4/h5-6,8,13H,7,9,17H2,1-4H3
InChIKeyGGXPKVZRCYPSJV-UHFFFAOYSA-N
MW306.43 g/mol
LogP3.06
Rot. Bonds6

About 3-(3,4-dimethoxyphenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-1-amine

3-(3,4-dimethoxyphenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-1-amine (PubChem CID 83977636) has the molecular formula C16H22N2O2S and a molecular weight of 306.43 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-1-amine.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-1-amine
PubChem CID83977636
Molecular FormulaC16H22N2O2S
Molecular Weight306.43 g/mol
Exact Mass306.14
IUPAC Name3-(3,4-dimethoxyphenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-1-amine
SMILESCOc1ccc(CC(CN)c2nc(C)c(C)s2)cc1OC
InChIInChI=1S/C16H22N2O2S/c1-10-11(2)21-16(18-10)13(9-17)7-12-5-6-14(19-3)15(8-12)20-4/h5-6,8,13H,7,9,17H2,1-4H3
InChIKeyGGXPKVZRCYPSJV-UHFFFAOYSA-N
XLogP3.06
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-butoxy-4-methoxyphenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-1-amine
CID 112539221
2-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(4-fluorophenyl)propan-1-amine
CID 83977634
2-(1,3-benzothiazol-2-yl)-3-(4-ethoxy-3-methoxyphenyl)propan-1-amine
CID 83976271
2-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(3-methoxy-2-propoxyphenyl)propan-1-amine
CID 83977702
3-(4-ethoxy-3-methoxyphenyl)-2-(2-ethoxy-5-methylphenyl)propan-1-amine
CID 83974529
4-[(2R,3R)-4-(3,4-dimethoxyphenyl)-2,3-dimethylbutyl]-1,2-dimethoxybenzene
CID 515707
2-(3,5-dimethylphenyl)-3-(4-methoxy-3-propoxyphenyl)propan-1-amine
CID 83977047
2-(3,4-dimethoxyphenyl)-1-(2,5-dimethylthiophen-3-yl)ethanol
CID 61088345
2-(4-methoxy-3-methylphenyl)-3-(3-methoxy-4-propoxyphenyl)propan-1-amine
CID 83974029
3-(3,4-diethoxyphenyl)-2-(2-methoxy-5-methylphenyl)propan-1-amine
CID 83974597
3-(3-ethoxy-4-methoxyphenyl)-2-(4-propan-2-ylphenyl)propan-1-amine
CID 83973107
2-(3,4-dimethoxyphenyl)ethanamine;hydroiodide
CID 46741035

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-1-amine?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-1-amine (CID 83977636) is 3-(3,4-dimethoxyphenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-1-amine.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-1-amine?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-1-amine is COc1ccc(CC(CN)c2nc(C)c(C)s2)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-1-amine?
The InChIKey is GGXPKVZRCYPSJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2S/c1-10-11(2)21-16(18-10)13(9-17)7-12-5-6-14(19-3)15(8-12)20-4/h5-6,8,13H,7,9,17H2,1-4H3.
What are the key properties of 3-(3,4-dimethoxyphenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-1-amine?
3-(3,4-dimethoxyphenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-1-amine has a molecular weight of 306.43 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-1-amine is sourced from PubChem (CID 83977636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).