1-[3-chloro-4-(1,3-thiazol-5-ylmethoxy)phenyl]-N-methylmethanamine

C12H13ClN2OS — CID 112640373

IUPAC1-[3-chloro-4-(1,3-thiazol-5-ylmethoxy)phenyl]-N-methylmethanamine
SMILESCNCc1ccc(OCc2cncs2)c(Cl)c1
InChIInChI=1S/C12H13ClN2OS/c1-14-5-9-2-3-12(11(13)4-9)16-7-10-6-15-8-17-10/h2-4,6,8,14H,5,7H2,1H3
InChIKeyNPDCURBXNWZCMC-UHFFFAOYSA-N
MW268.77 g/mol
LogP3.09
Rot. Bonds5

About 1-[3-chloro-4-(1,3-thiazol-5-ylmethoxy)phenyl]-N-methylmethanamine

1-[3-chloro-4-(1,3-thiazol-5-ylmethoxy)phenyl]-N-methylmethanamine (PubChem CID 112640373) has the molecular formula C12H13ClN2OS and a molecular weight of 268.77 g/mol. Its IUPAC name is 1-[3-chloro-4-(1,3-thiazol-5-ylmethoxy)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-chloro-4-(1,3-thiazol-5-ylmethoxy)phenyl]-N-methylmethanamine
PubChem CID112640373
Molecular FormulaC12H13ClN2OS
Molecular Weight268.77 g/mol
Exact Mass268.04
IUPAC Name1-[3-chloro-4-(1,3-thiazol-5-ylmethoxy)phenyl]-N-methylmethanamine
SMILESCNCc1ccc(OCc2cncs2)c(Cl)c1
InChIInChI=1S/C12H13ClN2OS/c1-14-5-9-2-3-12(11(13)4-9)16-7-10-6-15-8-17-10/h2-4,6,8,14H,5,7H2,1H3
InChIKeyNPDCURBXNWZCMC-UHFFFAOYSA-N
XLogP3.09
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.77
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[3-chloro-4-(1,3-thiazol-5-ylmethoxy)phenyl]-N-methylmethanamine 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

1-[4-methoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]-N-methylmethanamine
CID 112640362
5-[(2-chlorophenoxy)methyl]-1,3-thiazole
CID 112644769
N-[[4-methoxy-3-(1,3-thiazol-5-ylmethoxy)phenyl]methyl]ethanamine
CID 112640327
1-[3,5-difluoro-4-(1,3-thiazol-5-ylmethoxy)phenyl]-N-methylmethanamine
CID 112640440
N-[[3-fluoro-4-(1,3-thiazol-5-ylmethoxy)phenyl]methyl]propan-1-amine
CID 107687349
N-[[3-ethoxy-4-(1,3-thiazol-5-ylmethoxy)phenyl]methyl]propan-1-amine
CID 115978862
1-[3-chloro-4-[(3,4-difluorophenyl)methoxy]phenyl]-N-methylmethanamine
CID 82918677
1-[4-[(2,4-dichlorophenoxy)methyl]phenyl]-N-methylmethanamine
CID 62459209
1-(3-chloro-4-propoxyphenyl)-N-methylmethanamine;hydrochloride
CID 132843394
[4-methoxy-3-(1,3-thiazol-5-ylmethoxy)phenyl]methanamine
CID 112640286
1-[3-bromo-5-ethoxy-4-(1,3-thiazol-5-ylmethoxy)phenyl]-N-methylmethanamine
CID 115978905
1-[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-N-methylmethanamine
CID 4719426

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-4-(1,3-thiazol-5-ylmethoxy)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[3-chloro-4-(1,3-thiazol-5-ylmethoxy)phenyl]-N-methylmethanamine (CID 112640373) is 1-[3-chloro-4-(1,3-thiazol-5-ylmethoxy)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-chloro-4-(1,3-thiazol-5-ylmethoxy)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-chloro-4-(1,3-thiazol-5-ylmethoxy)phenyl]-N-methylmethanamine is CNCc1ccc(OCc2cncs2)c(Cl)c1.
What is the InChIKey of 1-[3-chloro-4-(1,3-thiazol-5-ylmethoxy)phenyl]-N-methylmethanamine?
The InChIKey is NPDCURBXNWZCMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2OS/c1-14-5-9-2-3-12(11(13)4-9)16-7-10-6-15-8-17-10/h2-4,6,8,14H,5,7H2,1H3.
What are the key properties of 1-[3-chloro-4-(1,3-thiazol-5-ylmethoxy)phenyl]-N-methylmethanamine?
1-[3-chloro-4-(1,3-thiazol-5-ylmethoxy)phenyl]-N-methylmethanamine has a molecular weight of 268.77 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-4-(1,3-thiazol-5-ylmethoxy)phenyl]-N-methylmethanamine is sourced from PubChem (CID 112640373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).