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

C15H19ClN2O2S — CID 83977408

IUPAC3-(3-chloro-4,5-dimethoxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)propan-1-amine
SMILESCOc1cc(CC(CN)c2nc(C)cs2)cc(Cl)c1OC
InChIInChI=1S/C15H19ClN2O2S/c1-9-8-21-15(18-9)11(7-17)4-10-5-12(16)14(20-3)13(6-10)19-2/h5-6,8,11H,4,7,17H2,1-3H3
InChIKeyLNEYPYQSSKRTGX-UHFFFAOYSA-N
MW326.85 g/mol
LogP3.41
Rot. Bonds6

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

3-(3-chloro-4,5-dimethoxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)propan-1-amine (PubChem CID 83977408) has the molecular formula C15H19ClN2O2S and a molecular weight of 326.85 g/mol. Its IUPAC name is 3-(3-chloro-4,5-dimethoxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)propan-1-amine.

Molecular Properties

Compound Name3-(3-chloro-4,5-dimethoxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)propan-1-amine
PubChem CID83977408
Molecular FormulaC15H19ClN2O2S
Molecular Weight326.85 g/mol
Exact Mass326.09
IUPAC Name3-(3-chloro-4,5-dimethoxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)propan-1-amine
SMILESCOc1cc(CC(CN)c2nc(C)cs2)cc(Cl)c1OC
InChIInChI=1S/C15H19ClN2O2S/c1-9-8-21-15(18-9)11(7-17)4-10-5-12(16)14(20-3)13(6-10)19-2/h5-6,8,11H,4,7,17H2,1-3H3
InChIKeyLNEYPYQSSKRTGX-UHFFFAOYSA-N
XLogP3.41
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.85
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-amino-2-(4-methyl-1,3-thiazol-2-yl)propyl]-2-chloro-6-ethoxyphenol
CID 83977365
3-(3-chloro-4-ethoxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)propan-1-amine
CID 83977361
2-(1H-benzimidazol-2-yl)-3-(3-chloro-4,5-dimethoxyphenyl)propan-1-amine
CID 112539106
3-(3-ethoxy-2-methoxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)propan-1-amine
CID 83977399
3-(3-chloro-5-ethoxy-4-methoxyphenyl)-2-thiophen-2-ylpropan-1-amine
CID 83975945
3-(3-chloro-4-ethoxy-5-methoxyphenyl)-2-(2,5-dimethylphenyl)propan-1-amine
CID 112538807
[3-chloro-5-methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine
CID 60879593
3-(3-chloro-4,5-dimethoxyphenyl)propan-1-amine
CID 82161696
3-(3,4-dimethoxyphenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-1-amine
CID 83977636
3-(2-fluorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)propan-1-amine
CID 83977372
3-(3-chloro-4-methoxyphenyl)-2-(2-methoxy-4,5-dimethylphenyl)propan-1-amine
CID 83974913
3-(3,5-dichloro-4-methoxyphenyl)-2-(2,5-difluorophenyl)propan-1-amine
CID 112539072

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4,5-dimethoxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)propan-1-amine?
The IUPAC name of 3-(3-chloro-4,5-dimethoxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)propan-1-amine (CID 83977408) is 3-(3-chloro-4,5-dimethoxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)propan-1-amine.
What is the SMILES notation for 3-(3-chloro-4,5-dimethoxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)propan-1-amine?
The canonical SMILES for 3-(3-chloro-4,5-dimethoxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)propan-1-amine is COc1cc(CC(CN)c2nc(C)cs2)cc(Cl)c1OC.
What is the InChIKey of 3-(3-chloro-4,5-dimethoxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)propan-1-amine?
The InChIKey is LNEYPYQSSKRTGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O2S/c1-9-8-21-15(18-9)11(7-17)4-10-5-12(16)14(20-3)13(6-10)19-2/h5-6,8,11H,4,7,17H2,1-3H3.
What are the key properties of 3-(3-chloro-4,5-dimethoxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)propan-1-amine?
3-(3-chloro-4,5-dimethoxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)propan-1-amine has a molecular weight of 326.85 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4,5-dimethoxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)propan-1-amine is sourced from PubChem (CID 83977408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).