1-(2-chloro-6-methylsulfonylphenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]methanamine

C13H15ClN2O2S2 — CID 104589813

IUPAC1-(2-chloro-6-methylsulfonylphenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]methanamine
SMILESCc1cnc(CNCc2c(Cl)cccc2S(C)(=O)=O)s1
InChIInChI=1S/C13H15ClN2O2S2/c1-9-6-16-13(19-9)8-15-7-10-11(14)4-3-5-12(10)20(2,17)18/h3-6,15H,7-8H2,1-2H3
InChIKeyPOVKANXAUUFCDF-UHFFFAOYSA-N
MW330.86 g/mol
LogP2.80
Rot. Bonds5

About 1-(2-chloro-6-methylsulfonylphenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]methanamine

1-(2-chloro-6-methylsulfonylphenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]methanamine (PubChem CID 104589813) has the molecular formula C13H15ClN2O2S2 and a molecular weight of 330.86 g/mol. Its IUPAC name is 1-(2-chloro-6-methylsulfonylphenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(2-chloro-6-methylsulfonylphenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]methanamine
PubChem CID104589813
Molecular FormulaC13H15ClN2O2S2
Molecular Weight330.86 g/mol
Exact Mass330.03
IUPAC Name1-(2-chloro-6-methylsulfonylphenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]methanamine
SMILESCc1cnc(CNCc2c(Cl)cccc2S(C)(=O)=O)s1
InChIInChI=1S/C13H15ClN2O2S2/c1-9-6-16-13(19-9)8-15-7-10-11(14)4-3-5-12(10)20(2,17)18/h3-6,15H,7-8H2,1-2H3
InChIKeyPOVKANXAUUFCDF-UHFFFAOYSA-N
XLogP2.80
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.86
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-2-methyl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 137998315
(2-Chloro-6-fluorophenyl)-(5-methyl-1,3-thiazol-2-yl)methanamine
CID 43558976
N-[[5-(2-chloro-6-fluorophenyl)-1,3-thiazol-2-yl]methyl]-1-phenylmethanamine
CID 53271492
N-[[5-(2-chlorophenyl)-1,3-thiazol-2-yl]methyl]-1-(4-fluorophenyl)methanamine
CID 53271496
N-[[5-(2-chlorophenyl)-1,3-thiazol-2-yl]methyl]-1-(2-fluorophenyl)methanamine
CID 53271532
N-[[5-(2-chloro-6-fluorophenyl)-1,3-thiazol-2-yl]methyl]-1-thiophen-2-ylmethanamine
CID 53271644
N-[[2-[(2-chloro-6-fluorophenyl)methyl]-1,3-thiazol-5-yl]methyl]ethanamine
CID 55142726
1-(2-chloro-4-fluorophenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine
CID 61280834
N-[(2-chloro-6-fluorophenyl)methyl]-1-(2-methyl-1,3-thiazol-5-yl)methanamine
CID 61281787
1-[2-(2-chloro-6-fluorophenyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 62502083
1-[2-[(2-chloro-6-fluorophenyl)methyl]-1,3-thiazol-5-yl]-N-methylmethanamine
CID 63023706
1-[2-[(2-chloro-4-fluorophenyl)methyl]-1,3-thiazol-5-yl]-N-methylmethanamine
CID 63036522

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-methylsulfonylphenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]methanamine?
The IUPAC name of 1-(2-chloro-6-methylsulfonylphenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]methanamine (CID 104589813) is 1-(2-chloro-6-methylsulfonylphenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]methanamine.
What is the SMILES notation for 1-(2-chloro-6-methylsulfonylphenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]methanamine?
The canonical SMILES for 1-(2-chloro-6-methylsulfonylphenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]methanamine is Cc1cnc(CNCc2c(Cl)cccc2S(C)(=O)=O)s1.
What is the InChIKey of 1-(2-chloro-6-methylsulfonylphenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]methanamine?
The InChIKey is POVKANXAUUFCDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O2S2/c1-9-6-16-13(19-9)8-15-7-10-11(14)4-3-5-12(10)20(2,17)18/h3-6,15H,7-8H2,1-2H3.
What are the key properties of 1-(2-chloro-6-methylsulfonylphenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]methanamine?
1-(2-chloro-6-methylsulfonylphenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]methanamine has a molecular weight of 330.86 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-methylsulfonylphenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]methanamine is sourced from PubChem (CID 104589813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).