1-[3-chloro-2-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]phenyl]-N-methylmethanamine

C14H17ClN2OS — CID 112608679

IUPAC1-[3-chloro-2-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]phenyl]-N-methylmethanamine
SMILESCNCc1cccc(Cl)c1OCc1nc(C)c(C)s1
InChIInChI=1S/C14H17ClN2OS/c1-9-10(2)19-13(17-9)8-18-14-11(7-16-3)5-4-6-12(14)15/h4-6,16H,7-8H2,1-3H3
InChIKeyAFLPQYRBDRFEFL-UHFFFAOYSA-N
MW296.82 g/mol
LogP3.71
Rot. Bonds5

About 1-[3-chloro-2-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]phenyl]-N-methylmethanamine

1-[3-chloro-2-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]phenyl]-N-methylmethanamine (PubChem CID 112608679) has the molecular formula C14H17ClN2OS and a molecular weight of 296.82 g/mol. Its IUPAC name is 1-[3-chloro-2-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-chloro-2-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]phenyl]-N-methylmethanamine
PubChem CID112608679
Molecular FormulaC14H17ClN2OS
Molecular Weight296.82 g/mol
Exact Mass296.08
IUPAC Name1-[3-chloro-2-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]phenyl]-N-methylmethanamine
SMILESCNCc1cccc(Cl)c1OCc1nc(C)c(C)s1
InChIInChI=1S/C14H17ClN2OS/c1-9-10(2)19-13(17-9)8-18-14-11(7-16-3)5-4-6-12(14)15/h4-6,16H,7-8H2,1-3H3
InChIKeyAFLPQYRBDRFEFL-UHFFFAOYSA-N
XLogP3.71
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.82
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-chloro-2-(pyrimidin-2-ylmethoxy)phenyl]-N-methylmethanamine
CID 112608649
N-[[2-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]-3-fluorophenyl]methyl]cyclopropanamine
CID 115953673
1-(3-chloro-2-ethoxyphenyl)-N-methylmethanamine
CID 58664109
1-[3-chloro-2-(thiophen-3-ylmethoxy)phenyl]-N-methylmethanamine
CID 112608676
1-[3-chloro-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]phenyl]-N-methylmethanamine
CID 112608591
2-[[2-(bromomethyl)-3-chlorophenoxy]methyl]-4,5-dimethyl-1,3-thiazole
CID 113276966
1-[3-chloro-2-[(4-fluoro-2-methylphenyl)methoxy]phenyl]-N-methylmethanamine
CID 114345835
3-[[2-chloro-6-(methylaminomethyl)phenoxy]methyl]phenol
CID 112608572
1-[3-chloro-2-[(1-methylimidazol-2-yl)methoxy]phenyl]-N-methylmethanamine
CID 112608705
1-[3-chloro-2-(2-fluoroethoxy)phenyl]-N-methylmethanamine
CID 112608474
1-[3-chloro-2-[(1-ethylimidazol-2-yl)methoxy]phenyl]-N-methylmethanamine
CID 112608626
1-[3-chloro-2-(3-methylbutoxy)phenyl]-N-methylmethanamine
CID 112608537

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-2-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]phenyl]-N-methylmethanamine?
The IUPAC name of 1-[3-chloro-2-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]phenyl]-N-methylmethanamine (CID 112608679) is 1-[3-chloro-2-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-chloro-2-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-chloro-2-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]phenyl]-N-methylmethanamine is CNCc1cccc(Cl)c1OCc1nc(C)c(C)s1.
What is the InChIKey of 1-[3-chloro-2-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]phenyl]-N-methylmethanamine?
The InChIKey is AFLPQYRBDRFEFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2OS/c1-9-10(2)19-13(17-9)8-18-14-11(7-16-3)5-4-6-12(14)15/h4-6,16H,7-8H2,1-3H3.
What are the key properties of 1-[3-chloro-2-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]phenyl]-N-methylmethanamine?
1-[3-chloro-2-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]phenyl]-N-methylmethanamine has a molecular weight of 296.82 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-2-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]phenyl]-N-methylmethanamine is sourced from PubChem (CID 112608679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).