N-[[2-(2-chloro-3,4-dimethoxyphenyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine

C15H17ClN2O2S — CID 63632375

IUPACN-[[2-(2-chloro-3,4-dimethoxyphenyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
SMILESCOc1ccc(-c2ncc(CNC3CC3)s2)c(Cl)c1OC
InChIInChI=1S/C15H17ClN2O2S/c1-19-12-6-5-11(13(16)14(12)20-2)15-18-8-10(21-15)7-17-9-3-4-9/h5-6,8-9,17H,3-4,7H2,1-2H3
InChIKeyXTZORRYLMPFFOD-UHFFFAOYSA-N
MW324.83 g/mol
LogP3.73
Rot. Bonds6

About N-[[2-(2-chloro-3,4-dimethoxyphenyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine

N-[[2-(2-chloro-3,4-dimethoxyphenyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine (PubChem CID 63632375) has the molecular formula C15H17ClN2O2S and a molecular weight of 324.83 g/mol. Its IUPAC name is N-[[2-(2-chloro-3,4-dimethoxyphenyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(2-chloro-3,4-dimethoxyphenyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
PubChem CID63632375
Molecular FormulaC15H17ClN2O2S
Molecular Weight324.83 g/mol
Exact Mass324.07
IUPAC NameN-[[2-(2-chloro-3,4-dimethoxyphenyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
SMILESCOc1ccc(-c2ncc(CNC3CC3)s2)c(Cl)c1OC
InChIInChI=1S/C15H17ClN2O2S/c1-19-12-6-5-11(13(16)14(12)20-2)15-18-8-10(21-15)7-17-9-3-4-9/h5-6,8-9,17H,3-4,7H2,1-2H3
InChIKeyXTZORRYLMPFFOD-UHFFFAOYSA-N
XLogP3.73
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.83
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(2-chloro-3,4-dimethoxyphenyl)-1,3-thiazol-5-yl]methanamine
CID 55247497
N-[[2-(2-fluoro-4-methoxyphenyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 81304184
N-[[2-(4-chloro-2-fluorophenyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 55181747
N-[(2-chloro-3,4-dimethoxyphenyl)methyl]cyclooctanamine
CID 63626731
N-[[2-[2-(2-methoxyphenoxy)ethyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 82424057
N-[[2-(4-methylphenyl)-1,3-thiazol-5-yl]methyl]cyclopentanamine
CID 82422546
N-[(2-pyridin-4-yl-1,3-thiazol-5-yl)methyl]cyclopentanamine
CID 82422667
N-[(2,3-dimethoxyphenyl)methyl]cyclopropanamine;hydrochloride
CID 17295654
N-[(2-chloro-3,4-dimethoxyphenyl)methyl]-3-methylsulfanylcyclopentan-1-amine
CID 103701328
N-[[2-(1-methoxypropan-2-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 116502748
N-[[3-methoxy-2-(methoxymethoxy)phenyl]methyl]cyclopropanamine
CID 65365555
1-cyclopropyl-N-[[5-(2,3,4-trimethoxyphenyl)-1,3-thiazol-2-yl]methyl]methanamine
CID 53273289

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-chloro-3,4-dimethoxyphenyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(2-chloro-3,4-dimethoxyphenyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine (CID 63632375) is N-[[2-(2-chloro-3,4-dimethoxyphenyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(2-chloro-3,4-dimethoxyphenyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(2-chloro-3,4-dimethoxyphenyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine is COc1ccc(-c2ncc(CNC3CC3)s2)c(Cl)c1OC.
What is the InChIKey of N-[[2-(2-chloro-3,4-dimethoxyphenyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The InChIKey is XTZORRYLMPFFOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2S/c1-19-12-6-5-11(13(16)14(12)20-2)15-18-8-10(21-15)7-17-9-3-4-9/h5-6,8-9,17H,3-4,7H2,1-2H3.
What are the key properties of N-[[2-(2-chloro-3,4-dimethoxyphenyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine?
N-[[2-(2-chloro-3,4-dimethoxyphenyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine has a molecular weight of 324.83 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-chloro-3,4-dimethoxyphenyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine is sourced from PubChem (CID 63632375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).