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

C17H22N2OS — CID 61335837

IUPACN-[(4,5-dimethyl-1,3-thiazol-2-yl)-(2-ethoxyphenyl)methyl]cyclopropanamine
SMILESCCOc1ccccc1C(NC1CC1)c1nc(C)c(C)s1
InChIInChI=1S/C17H22N2OS/c1-4-20-15-8-6-5-7-14(15)16(19-13-9-10-13)17-18-11(2)12(3)21-17/h5-8,13,16,19H,4,9-10H2,1-3H3
InChIKeySHLJJVIJAXXXKT-UHFFFAOYSA-N
MW302.44 g/mol
LogP4.00
Rot. Bonds6

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

N-[(4,5-dimethyl-1,3-thiazol-2-yl)-(2-ethoxyphenyl)methyl]cyclopropanamine (PubChem CID 61335837) has the molecular formula C17H22N2OS and a molecular weight of 302.44 g/mol. Its IUPAC name is N-[(4,5-dimethyl-1,3-thiazol-2-yl)-(2-ethoxyphenyl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(4,5-dimethyl-1,3-thiazol-2-yl)-(2-ethoxyphenyl)methyl]cyclopropanamine
PubChem CID61335837
Molecular FormulaC17H22N2OS
Molecular Weight302.44 g/mol
Exact Mass302.15
IUPAC NameN-[(4,5-dimethyl-1,3-thiazol-2-yl)-(2-ethoxyphenyl)methyl]cyclopropanamine
SMILESCCOc1ccccc1C(NC1CC1)c1nc(C)c(C)s1
InChIInChI=1S/C17H22N2OS/c1-4-20-15-8-6-5-7-14(15)16(19-13-9-10-13)17-18-11(2)12(3)21-17/h5-8,13,16,19H,4,9-10H2,1-3H3
InChIKeySHLJJVIJAXXXKT-UHFFFAOYSA-N
XLogP4.00
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(4,5-dimethyl-1,3-thiazol-2-yl)-(2-ethoxyphenyl)methyl]cyclopropanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2-ethoxyphenyl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 61332177
2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(2-ethoxyphenyl)-N-methylethanamine
CID 115533845
N-[(4,5-dimethyl-1,3-thiazol-2-yl)-(6-methoxy-3-pyridinyl)methyl]cyclopropanamine
CID 114937745
N-[(4,5-dimethyl-1,3-thiazol-2-yl)-(3-ethylimidazol-4-yl)methyl]cyclopropanamine
CID 66133712
N-[[3-(difluoromethyl)phenyl]-(4,5-dimethyl-1,3-thiazol-2-yl)methyl]cyclopropanamine
CID 115527578
1-[2-(difluoromethoxy)phenyl]-1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylmethanamine
CID 61331924
N-[(4,5-dimethyl-1,3-thiazol-2-yl)-(2-fluorophenyl)methyl]propan-2-amine
CID 61334622
N-[3-(2-propoxyphenyl)butan-2-yl]cyclopropanamine
CID 104662486
N-[(1,3-dimethylpyrazol-4-yl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]cyclopropanamine
CID 83092056
1-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(3-ethoxyphenyl)-N-methylmethanamine
CID 61332716
N-[(2,4-dichlorophenyl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]cyclopropanamine
CID 61336237
1-(2-ethoxyphenyl)-N-methyl-1-(5-methylpyrazin-2-yl)methanamine
CID 105144951

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethyl-1,3-thiazol-2-yl)-(2-ethoxyphenyl)methyl]cyclopropanamine?
The IUPAC name of N-[(4,5-dimethyl-1,3-thiazol-2-yl)-(2-ethoxyphenyl)methyl]cyclopropanamine (CID 61335837) is N-[(4,5-dimethyl-1,3-thiazol-2-yl)-(2-ethoxyphenyl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(4,5-dimethyl-1,3-thiazol-2-yl)-(2-ethoxyphenyl)methyl]cyclopropanamine?
The canonical SMILES for N-[(4,5-dimethyl-1,3-thiazol-2-yl)-(2-ethoxyphenyl)methyl]cyclopropanamine is CCOc1ccccc1C(NC1CC1)c1nc(C)c(C)s1.
What is the InChIKey of N-[(4,5-dimethyl-1,3-thiazol-2-yl)-(2-ethoxyphenyl)methyl]cyclopropanamine?
The InChIKey is SHLJJVIJAXXXKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2OS/c1-4-20-15-8-6-5-7-14(15)16(19-13-9-10-13)17-18-11(2)12(3)21-17/h5-8,13,16,19H,4,9-10H2,1-3H3.
What are the key properties of N-[(4,5-dimethyl-1,3-thiazol-2-yl)-(2-ethoxyphenyl)methyl]cyclopropanamine?
N-[(4,5-dimethyl-1,3-thiazol-2-yl)-(2-ethoxyphenyl)methyl]cyclopropanamine has a molecular weight of 302.44 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethyl-1,3-thiazol-2-yl)-(2-ethoxyphenyl)methyl]cyclopropanamine is sourced from PubChem (CID 61335837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).