N-[(2,6-dichlorophenyl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)methanamine

C12H12Cl2N2S — CID 60960976

IUPACN-[(2,6-dichlorophenyl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)methanamine
SMILESCc1nc(CNCc2c(Cl)cccc2Cl)cs1
InChIInChI=1S/C12H12Cl2N2S/c1-8-16-9(7-17-8)5-15-6-10-11(13)3-2-4-12(10)14/h2-4,7,15H,5-6H2,1H3
InChIKeyYZYPLISSFFEYIX-UHFFFAOYSA-N
MW287.21 g/mol
LogP4.05
Rot. Bonds4

About N-[(2,6-dichlorophenyl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)methanamine

N-[(2,6-dichlorophenyl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)methanamine (PubChem CID 60960976) has the molecular formula C12H12Cl2N2S and a molecular weight of 287.21 g/mol. Its IUPAC name is N-[(2,6-dichlorophenyl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)methanamine.

Molecular Properties

Compound NameN-[(2,6-dichlorophenyl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)methanamine
PubChem CID60960976
Molecular FormulaC12H12Cl2N2S
Molecular Weight287.21 g/mol
Exact Mass286.01
IUPAC NameN-[(2,6-dichlorophenyl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)methanamine
SMILESCc1nc(CNCc2c(Cl)cccc2Cl)cs1
InChIInChI=1S/C12H12Cl2N2S/c1-8-16-9(7-17-8)5-15-6-10-11(13)3-2-4-12(10)14/h2-4,7,15H,5-6H2,1H3
InChIKeyYZYPLISSFFEYIX-UHFFFAOYSA-N
XLogP4.05
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.21
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-chloro-6-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]propan-1-amine
CID 114319395
N-[(2-chloro-6-nitrophenyl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 106045010
3-chloro-2-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzene-1,2-diamine
CID 61281278
1-(2-methylphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
CID 60664468
N-(2-chlorophenyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]acetamide
CID 61283813
2-methyl-6-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]phenol
CID 112554021
N-[(2-chlorophenyl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 113222746
1-(3-chloro-4-methoxyphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
CID 65021948
N-[(2-methyl-1,3-thiazol-4-yl)methyl]prop-2-yn-1-amine
CID 28780721
1-(4-iodophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
CID 65479206
1-(2,6-dichlorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)-N-propylpropan-2-amine
CID 62799001
N-[(3-chloro-1-benzothiophen-2-yl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)methanamine
CID 60961374

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-dichlorophenyl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)methanamine?
The IUPAC name of N-[(2,6-dichlorophenyl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)methanamine (CID 60960976) is N-[(2,6-dichlorophenyl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)methanamine.
What is the SMILES notation for N-[(2,6-dichlorophenyl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)methanamine?
The canonical SMILES for N-[(2,6-dichlorophenyl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)methanamine is Cc1nc(CNCc2c(Cl)cccc2Cl)cs1.
What is the InChIKey of N-[(2,6-dichlorophenyl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)methanamine?
The InChIKey is YZYPLISSFFEYIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N2S/c1-8-16-9(7-17-8)5-15-6-10-11(13)3-2-4-12(10)14/h2-4,7,15H,5-6H2,1H3.
What are the key properties of N-[(2,6-dichlorophenyl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)methanamine?
N-[(2,6-dichlorophenyl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)methanamine has a molecular weight of 287.21 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-dichlorophenyl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)methanamine is sourced from PubChem (CID 60960976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).