1-cyclopropyl-N-[[5-(2,3,4-trimethoxyphenyl)-1,3-thiazol-2-yl]methyl]methanamine

C17H22N2O3S — CID 53273289

IUPAC1-cyclopropyl-N-[[5-(2,3,4-trimethoxyphenyl)-1,3-thiazol-2-yl]methyl]methanamine
SMILESCOc1ccc(-c2cnc(CNCC3CC3)s2)c(OC)c1OC
InChIInChI=1S/C17H22N2O3S/c1-20-13-7-6-12(16(21-2)17(13)22-3)14-9-19-15(23-14)10-18-8-11-4-5-11/h6-7,9,11,18H,4-5,8,10H2,1-3H3
InChIKeyHDDOZMINFMGGHD-UHFFFAOYSA-N
MW334.44 g/mol
LogP3.34
Rot. Bonds8

About 1-cyclopropyl-N-[[5-(2,3,4-trimethoxyphenyl)-1,3-thiazol-2-yl]methyl]methanamine

1-cyclopropyl-N-[[5-(2,3,4-trimethoxyphenyl)-1,3-thiazol-2-yl]methyl]methanamine (PubChem CID 53273289) has the molecular formula C17H22N2O3S and a molecular weight of 334.44 g/mol. Its IUPAC name is 1-cyclopropyl-N-[[5-(2,3,4-trimethoxyphenyl)-1,3-thiazol-2-yl]methyl]methanamine.

Molecular Properties

Compound Name1-cyclopropyl-N-[[5-(2,3,4-trimethoxyphenyl)-1,3-thiazol-2-yl]methyl]methanamine
PubChem CID53273289
Molecular FormulaC17H22N2O3S
Molecular Weight334.44 g/mol
Exact Mass334.14
IUPAC Name1-cyclopropyl-N-[[5-(2,3,4-trimethoxyphenyl)-1,3-thiazol-2-yl]methyl]methanamine
SMILESCOc1ccc(-c2cnc(CNCC3CC3)s2)c(OC)c1OC
InChIInChI=1S/C17H22N2O3S/c1-20-13-7-6-12(16(21-2)17(13)22-3)14-9-19-15(23-14)10-18-8-11-4-5-11/h6-7,9,11,18H,4-5,8,10H2,1-3H3
InChIKeyHDDOZMINFMGGHD-UHFFFAOYSA-N
XLogP3.34
TPSA52.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3,4-dichlorophenyl)-N-[[5-(2,3,4-trimethoxyphenyl)-1,3-thiazol-2-yl]methyl]methanamine
CID 53273171
2-(3,4-dimethoxyphenyl)-N-[[5-(2,3-dimethoxyphenyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 53272089
1-cyclopropyl-N-[[5-(3-methylthiophen-2-yl)-1,3-thiazol-2-yl]methyl]methanamine
CID 53273353
1-cyclopropyl-N-[[5-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]methyl]methanamine
CID 53272743
1-(3,4-dimethoxyphenyl)-N-[[5-(2,4,5-trimethoxyphenyl)-1,3-thiazol-2-yl]methyl]methanamine
CID 53273140
2-(3-chlorophenyl)-N-[[5-(2,3-dimethoxyphenyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 53272031
N-[[5-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]methyl]cyclopropanamine
CID 53271922
1-cyclohexyl-N-[(5-phenyl-1,3-thiazol-2-yl)methyl]methanamine
CID 53271572
2-(3,4-dimethoxyphenyl)-N-[(5-naphthalen-1-yl-1,3-thiazol-2-yl)methyl]ethanamine
CID 53272828
N-[[5-(2,6-dichlorophenyl)-1,3-thiazol-2-yl]methyl]-1-(2,3-dimethoxyphenyl)methanamine
CID 53272157
1-(2,3-dimethoxyphenyl)-N-[(5-pyridin-2-yl-1,3-thiazol-2-yl)methyl]methanamine
CID 53273482
N-[[5-(2-ethoxyphenyl)-1,3-thiazol-2-yl]methyl]-2-(2-methoxyphenyl)ethanamine
CID 53272376

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[[5-(2,3,4-trimethoxyphenyl)-1,3-thiazol-2-yl]methyl]methanamine?
The IUPAC name of 1-cyclopropyl-N-[[5-(2,3,4-trimethoxyphenyl)-1,3-thiazol-2-yl]methyl]methanamine (CID 53273289) is 1-cyclopropyl-N-[[5-(2,3,4-trimethoxyphenyl)-1,3-thiazol-2-yl]methyl]methanamine.
What is the SMILES notation for 1-cyclopropyl-N-[[5-(2,3,4-trimethoxyphenyl)-1,3-thiazol-2-yl]methyl]methanamine?
The canonical SMILES for 1-cyclopropyl-N-[[5-(2,3,4-trimethoxyphenyl)-1,3-thiazol-2-yl]methyl]methanamine is COc1ccc(-c2cnc(CNCC3CC3)s2)c(OC)c1OC.
What is the InChIKey of 1-cyclopropyl-N-[[5-(2,3,4-trimethoxyphenyl)-1,3-thiazol-2-yl]methyl]methanamine?
The InChIKey is HDDOZMINFMGGHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3S/c1-20-13-7-6-12(16(21-2)17(13)22-3)14-9-19-15(23-14)10-18-8-11-4-5-11/h6-7,9,11,18H,4-5,8,10H2,1-3H3.
What are the key properties of 1-cyclopropyl-N-[[5-(2,3,4-trimethoxyphenyl)-1,3-thiazol-2-yl]methyl]methanamine?
1-cyclopropyl-N-[[5-(2,3,4-trimethoxyphenyl)-1,3-thiazol-2-yl]methyl]methanamine has a molecular weight of 334.44 g/mol, XLogP of 3.34, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[[5-(2,3,4-trimethoxyphenyl)-1,3-thiazol-2-yl]methyl]methanamine is sourced from PubChem (CID 53273289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).