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

C16H20N2O2S — CID 82427321

IUPACN-[[2-(2,5-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanamine
SMILESCOc1ccc(OC)c(-c2nc(C)c(CNC3CC3)s2)c1
InChIInChI=1S/C16H20N2O2S/c1-10-15(9-17-11-4-5-11)21-16(18-10)13-8-12(19-2)6-7-14(13)20-3/h6-8,11,17H,4-5,9H2,1-3H3
InChIKeyPLYDJOGMFUYJGD-UHFFFAOYSA-N
MW304.42 g/mol
LogP3.39
Rot. Bonds6

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

N-[[2-(2,5-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanamine (PubChem CID 82427321) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is N-[[2-(2,5-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(2,5-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanamine
PubChem CID82427321
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC NameN-[[2-(2,5-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanamine
SMILESCOc1ccc(OC)c(-c2nc(C)c(CNC3CC3)s2)c1
InChIInChI=1S/C16H20N2O2S/c1-10-15(9-17-11-4-5-11)21-16(18-10)13-8-12(19-2)6-7-14(13)20-3/h6-8,11,17H,4-5,9H2,1-3H3
InChIKeyPLYDJOGMFUYJGD-UHFFFAOYSA-N
XLogP3.39
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-(2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopentanamine
CID 82427019
N-[[5-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]methyl]cyclopropanamine
CID 53271922
2-(2,5-dimethoxyphenyl)-5-methoxy-4-methyl-1,3-thiazole
CID 116887517
N-[[4-methyl-2-(2-methylfuran-3-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 104790778
N-[[2-(2,6-difluorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 62403915
[2-(2,4-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methanamine
CID 82133642
N-[(2,5-dimethoxyphenyl)methyl]cyclopropanamine;hydrochloride
CID 167726962
N-[[2-(3-bromo-4-methylphenyl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 107915395
N-[[4-methyl-2-(2,4,6-trifluorophenyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 107920955
N-[[4-methyl-2-(6-methyl-2-pyridinyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 63554033
[2-(2,5-dimethoxyphenyl)-4-ethyl-1,3-thiazol-5-yl]methanethiol
CID 82430342
N-[(6-methoxy-3-methyl-1-benzothiophen-2-yl)methyl]cyclopropanamine
CID 102972146

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2,5-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(2,5-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanamine (CID 82427321) is N-[[2-(2,5-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(2,5-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(2,5-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanamine is COc1ccc(OC)c(-c2nc(C)c(CNC3CC3)s2)c1.
What is the InChIKey of N-[[2-(2,5-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The InChIKey is PLYDJOGMFUYJGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-10-15(9-17-11-4-5-11)21-16(18-10)13-8-12(19-2)6-7-14(13)20-3/h6-8,11,17H,4-5,9H2,1-3H3.
What are the key properties of N-[[2-(2,5-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanamine?
N-[[2-(2,5-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanamine has a molecular weight of 304.42 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2,5-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanamine is sourced from PubChem (CID 82427321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).