N-[(2-chloro-6-methoxyphenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]-2-methoxyethanamine

C15H19ClN2O2S — CID 104816971

IUPACN-[(2-chloro-6-methoxyphenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]-2-methoxyethanamine
SMILESCOCCNC(c1nc(C)cs1)c1c(Cl)cccc1OC
InChIInChI=1S/C15H19ClN2O2S/c1-10-9-21-15(18-10)14(17-7-8-19-2)13-11(16)5-4-6-12(13)20-3/h4-6,9,14,17H,7-8H2,1-3H3
InChIKeyKSKIMBQONWJTAA-UHFFFAOYSA-N
MW326.85 g/mol
LogP3.44
Rot. Bonds7

About N-[(2-chloro-6-methoxyphenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]-2-methoxyethanamine

N-[(2-chloro-6-methoxyphenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]-2-methoxyethanamine (PubChem CID 104816971) has the molecular formula C15H19ClN2O2S and a molecular weight of 326.85 g/mol. Its IUPAC name is N-[(2-chloro-6-methoxyphenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[(2-chloro-6-methoxyphenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]-2-methoxyethanamine
PubChem CID104816971
Molecular FormulaC15H19ClN2O2S
Molecular Weight326.85 g/mol
Exact Mass326.09
IUPAC NameN-[(2-chloro-6-methoxyphenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]-2-methoxyethanamine
SMILESCOCCNC(c1nc(C)cs1)c1c(Cl)cccc1OC
InChIInChI=1S/C15H19ClN2O2S/c1-10-9-21-15(18-10)14(17-7-8-19-2)13-11(16)5-4-6-12(13)20-3/h4-6,9,14,17H,7-8H2,1-3H3
InChIKeyKSKIMBQONWJTAA-UHFFFAOYSA-N
XLogP3.44
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.85
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[(2-chloro-6-methoxyphenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]-2-methoxyethanamine 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-chloro-6-fluorophenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]-2-methoxyethanamine
CID 62542277
2-methoxy-N-[(4-methyl-1,3-thiazol-2-yl)-phenylmethyl]ethanamine
CID 62540339
N-[(5-chloro-2-fluorophenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]-2-methoxyethanamine
CID 114859249
N-[(2-chloro-6-fluorophenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 61331379
N-[(2,5-dimethylphenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]-2-methoxyethanamine
CID 62542109
2-(2-chloro-6-methoxyphenyl)-2-(2-methoxyethylamino)acetic acid
CID 104816578
N-(2-methoxyethyl)-1-(4-methyl-1,3-thiazol-2-yl)-2-phenylethanamine
CID 62542442
N-(2-methoxyethyl)-2-methyl-1-(4-methyl-1,3-thiazol-2-yl)butan-1-amine
CID 62541039
N-[(1,5-dimethylpyrazol-4-yl)-(4-methyl-1,3-thiazol-2-yl)methyl]-2-methoxyethanamine
CID 79584469
N-(2-methoxyethyl)-2,3,3-trimethyl-1-(4-methyl-1,3-thiazol-2-yl)butan-1-amine
CID 114270635
N-[(3,4-dimethoxyphenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]propan-1-amine
CID 61330839
N-[[2-chloro-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]methyl]-2-methoxyethanamine
CID 63806182

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-methoxyphenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]-2-methoxyethanamine?
The IUPAC name of N-[(2-chloro-6-methoxyphenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]-2-methoxyethanamine (CID 104816971) is N-[(2-chloro-6-methoxyphenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[(2-chloro-6-methoxyphenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]-2-methoxyethanamine?
The canonical SMILES for N-[(2-chloro-6-methoxyphenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]-2-methoxyethanamine is COCCNC(c1nc(C)cs1)c1c(Cl)cccc1OC.
What is the InChIKey of N-[(2-chloro-6-methoxyphenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]-2-methoxyethanamine?
The InChIKey is KSKIMBQONWJTAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O2S/c1-10-9-21-15(18-10)14(17-7-8-19-2)13-11(16)5-4-6-12(13)20-3/h4-6,9,14,17H,7-8H2,1-3H3.
What are the key properties of N-[(2-chloro-6-methoxyphenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]-2-methoxyethanamine?
N-[(2-chloro-6-methoxyphenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]-2-methoxyethanamine has a molecular weight of 326.85 g/mol, XLogP of 3.44, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-methoxyphenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]-2-methoxyethanamine is sourced from PubChem (CID 104816971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).