1-[2-[(2,6-dichlorophenyl)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine

C14H16Cl2N2OS — CID 114366065

IUPAC1-[2-[(2,6-dichlorophenyl)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine
SMILESCNCc1sc(Cc2c(Cl)cccc2Cl)nc1COC
InChIInChI=1S/C14H16Cl2N2OS/c1-17-7-13-12(8-19-2)18-14(20-13)6-9-10(15)4-3-5-11(9)16/h3-5,17H,6-8H2,1-2H3
InChIKeyYPIUPACABFJIJF-UHFFFAOYSA-N
MW331.27 g/mol
LogP3.91
Rot. Bonds6

About 1-[2-[(2,6-dichlorophenyl)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine

1-[2-[(2,6-dichlorophenyl)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine (PubChem CID 114366065) has the molecular formula C14H16Cl2N2OS and a molecular weight of 331.27 g/mol. Its IUPAC name is 1-[2-[(2,6-dichlorophenyl)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-[(2,6-dichlorophenyl)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine
PubChem CID114366065
Molecular FormulaC14H16Cl2N2OS
Molecular Weight331.27 g/mol
Exact Mass330.04
IUPAC Name1-[2-[(2,6-dichlorophenyl)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine
SMILESCNCc1sc(Cc2c(Cl)cccc2Cl)nc1COC
InChIInChI=1S/C14H16Cl2N2OS/c1-17-7-13-12(8-19-2)18-14(20-13)6-9-10(15)4-3-5-11(9)16/h3-5,17H,6-8H2,1-2H3
InChIKeyYPIUPACABFJIJF-UHFFFAOYSA-N
XLogP3.91
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.27
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(methoxymethyl)-2-[(2-methylphenyl)methyl]-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114366066
1-[4-(methoxymethyl)-2-(phenoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 82440375
1-[4-(methoxymethyl)-2-[(4-methoxyphenoxy)methyl]-1,3-thiazol-5-yl]-N-methylmethanamine
CID 82440582
1-[2-[(3,4-dimethylphenyl)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114366014
1-[2-(ethylsulfanylmethyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 82440651
1-[2-(ethoxymethyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114365994
2-[4-(methoxymethyl)-5-(methylaminomethyl)-1,3-thiazol-2-yl]-N,N-dimethylethanamine
CID 82441600
1-[4-(methoxymethyl)-2-[2-(2-methylphenoxy)ethyl]-1,3-thiazol-5-yl]-N-methylmethanamine
CID 82441029
1-[4-(methoxymethyl)-2-methyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 82439850
N-[[2-(3-chloro-2-fluorophenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 114366130
1-[2-[(2,5-dimethylphenoxy)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 82440494
1-[2-[(3-chloro-2-fluorophenyl)methyl]-4-propyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114363616

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2,6-dichlorophenyl)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-[(2,6-dichlorophenyl)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine (CID 114366065) is 1-[2-[(2,6-dichlorophenyl)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-[(2,6-dichlorophenyl)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-[(2,6-dichlorophenyl)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine is CNCc1sc(Cc2c(Cl)cccc2Cl)nc1COC.
What is the InChIKey of 1-[2-[(2,6-dichlorophenyl)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine?
The InChIKey is YPIUPACABFJIJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N2OS/c1-17-7-13-12(8-19-2)18-14(20-13)6-9-10(15)4-3-5-11(9)16/h3-5,17H,6-8H2,1-2H3.
What are the key properties of 1-[2-[(2,6-dichlorophenyl)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine?
1-[2-[(2,6-dichlorophenyl)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine has a molecular weight of 331.27 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2,6-dichlorophenyl)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine is sourced from PubChem (CID 114366065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).