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

C18H26N2O2S — CID 83977702

IUPAC2-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(3-methoxy-2-propoxyphenyl)propan-1-amine
SMILESCCCOc1c(CC(CN)c2nc(C)c(C)s2)cccc1OC
InChIInChI=1S/C18H26N2O2S/c1-5-9-22-17-14(7-6-8-16(17)21-4)10-15(11-19)18-20-12(2)13(3)23-18/h6-8,15H,5,9-11,19H2,1-4H3
InChIKeyUXXROHXBGXBDIN-UHFFFAOYSA-N
MW334.49 g/mol
LogP3.84
Rot. Bonds8

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

2-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(3-methoxy-2-propoxyphenyl)propan-1-amine (PubChem CID 83977702) has the molecular formula C18H26N2O2S and a molecular weight of 334.49 g/mol. Its IUPAC name is 2-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(3-methoxy-2-propoxyphenyl)propan-1-amine.

Molecular Properties

Compound Name2-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(3-methoxy-2-propoxyphenyl)propan-1-amine
PubChem CID83977702
Molecular FormulaC18H26N2O2S
Molecular Weight334.49 g/mol
Exact Mass334.17
IUPAC Name2-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(3-methoxy-2-propoxyphenyl)propan-1-amine
SMILESCCCOc1c(CC(CN)c2nc(C)c(C)s2)cccc1OC
InChIInChI=1S/C18H26N2O2S/c1-5-9-22-17-14(7-6-8-16(17)21-4)10-15(11-19)18-20-12(2)13(3)23-18/h6-8,15H,5,9-11,19H2,1-4H3
InChIKeyUXXROHXBGXBDIN-UHFFFAOYSA-N
XLogP3.84
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.49
LogP ≤ 53.84
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
3-(3,4-dimethoxyphenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-1-amine
CID 83977636
3-(2-ethoxy-3-methoxyphenyl)-2-(3-propoxyphenyl)propan-1-amine
CID 83973413
3-(2-methoxy-3-propoxyphenyl)-2-(4-methylphenyl)propan-1-amine
CID 82160341
3-(2-ethoxy-3-methoxyphenyl)-2-(4-methoxyphenyl)propan-1-amine
CID 83972548
3-(3-ethoxy-2-methoxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)propan-1-amine
CID 83977399
2-(4-fluorophenyl)-3-(2-methoxy-3-propoxyphenyl)propan-1-amine
CID 82160452
3-(2-ethoxy-3-methoxyphenyl)-2-(4-fluorophenyl)propan-1-amine
CID 83973795
2-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(4-fluorophenyl)propan-1-amine
CID 83977634
4-[1-amino-3-(2-ethoxy-3-methoxyphenyl)propan-2-yl]phenol
CID 83975456
2-(4,5-dimethyl-1,3-thiazol-2-yl)-3-thiophen-2-ylpropan-1-amine
CID 83977655
N-[(3-methoxy-2-propoxyphenyl)methyl]propan-2-amine
CID 43472048

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(3-methoxy-2-propoxyphenyl)propan-1-amine?
The IUPAC name of 2-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(3-methoxy-2-propoxyphenyl)propan-1-amine (CID 83977702) is 2-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(3-methoxy-2-propoxyphenyl)propan-1-amine.
What is the SMILES notation for 2-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(3-methoxy-2-propoxyphenyl)propan-1-amine?
The canonical SMILES for 2-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(3-methoxy-2-propoxyphenyl)propan-1-amine is CCCOc1c(CC(CN)c2nc(C)c(C)s2)cccc1OC.
What is the InChIKey of 2-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(3-methoxy-2-propoxyphenyl)propan-1-amine?
The InChIKey is UXXROHXBGXBDIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2S/c1-5-9-22-17-14(7-6-8-16(17)21-4)10-15(11-19)18-20-12(2)13(3)23-18/h6-8,15H,5,9-11,19H2,1-4H3.
What are the key properties of 2-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(3-methoxy-2-propoxyphenyl)propan-1-amine?
2-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(3-methoxy-2-propoxyphenyl)propan-1-amine has a molecular weight of 334.49 g/mol, XLogP of 3.84, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(3-methoxy-2-propoxyphenyl)propan-1-amine is sourced from PubChem (CID 83977702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).