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

C15H20N2OS — CID 114366066

IUPAC1-[4-(methoxymethyl)-2-[(2-methylphenyl)methyl]-1,3-thiazol-5-yl]-N-methylmethanamine
SMILESCNCc1sc(Cc2ccccc2C)nc1COC
InChIInChI=1S/C15H20N2OS/c1-11-6-4-5-7-12(11)8-15-17-13(10-18-3)14(19-15)9-16-2/h4-7,16H,8-10H2,1-3H3
InChIKeySDBVNHHXZKTYTL-UHFFFAOYSA-N
MW276.41 g/mol
LogP2.91
Rot. Bonds6

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

1-[4-(methoxymethyl)-2-[(2-methylphenyl)methyl]-1,3-thiazol-5-yl]-N-methylmethanamine (PubChem CID 114366066) has the molecular formula C15H20N2OS and a molecular weight of 276.41 g/mol. Its IUPAC name is 1-[4-(methoxymethyl)-2-[(2-methylphenyl)methyl]-1,3-thiazol-5-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-(methoxymethyl)-2-[(2-methylphenyl)methyl]-1,3-thiazol-5-yl]-N-methylmethanamine
PubChem CID114366066
Molecular FormulaC15H20N2OS
Molecular Weight276.41 g/mol
Exact Mass276.13
IUPAC Name1-[4-(methoxymethyl)-2-[(2-methylphenyl)methyl]-1,3-thiazol-5-yl]-N-methylmethanamine
SMILESCNCc1sc(Cc2ccccc2C)nc1COC
InChIInChI=1S/C15H20N2OS/c1-11-6-4-5-7-12(11)8-15-17-13(10-18-3)14(19-15)9-16-2/h4-7,16H,8-10H2,1-3H3
InChIKeySDBVNHHXZKTYTL-UHFFFAOYSA-N
XLogP2.91
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(methoxymethyl)-2-[(2-methylphenyl)methyl]-1,3-thiazol-5-yl]methyl]ethanamine
CID 114366259
1-[4-(methoxymethyl)-2-[2-(2-methylphenoxy)ethyl]-1,3-thiazol-5-yl]-N-methylmethanamine
CID 82441029
1-[2-[(3,4-dimethylphenyl)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114366014
1-[4-(methoxymethyl)-2-(phenoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 82440375
1-[2-[(2,6-dichlorophenyl)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114366065
1-[2-[(2,5-dimethylphenoxy)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 82440494
1-[4-(methoxymethyl)-2-[(4-methoxyphenoxy)methyl]-1,3-thiazol-5-yl]-N-methylmethanamine
CID 82440582
N-[[2-[(2-methylphenyl)methyl]-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 114368742
1-[2-(ethylsulfanylmethyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 82440651
1-[4-(methoxymethyl)-2-methyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 82439850
1-[2-(ethoxymethyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114365994
N-[[4-ethyl-2-[(2-methylphenyl)methyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 104841788

Frequently Asked Questions

What is the IUPAC name of 1-[4-(methoxymethyl)-2-[(2-methylphenyl)methyl]-1,3-thiazol-5-yl]-N-methylmethanamine?
The IUPAC name of 1-[4-(methoxymethyl)-2-[(2-methylphenyl)methyl]-1,3-thiazol-5-yl]-N-methylmethanamine (CID 114366066) is 1-[4-(methoxymethyl)-2-[(2-methylphenyl)methyl]-1,3-thiazol-5-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-(methoxymethyl)-2-[(2-methylphenyl)methyl]-1,3-thiazol-5-yl]-N-methylmethanamine?
The canonical SMILES for 1-[4-(methoxymethyl)-2-[(2-methylphenyl)methyl]-1,3-thiazol-5-yl]-N-methylmethanamine is CNCc1sc(Cc2ccccc2C)nc1COC.
What is the InChIKey of 1-[4-(methoxymethyl)-2-[(2-methylphenyl)methyl]-1,3-thiazol-5-yl]-N-methylmethanamine?
The InChIKey is SDBVNHHXZKTYTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-11-6-4-5-7-12(11)8-15-17-13(10-18-3)14(19-15)9-16-2/h4-7,16H,8-10H2,1-3H3.
What are the key properties of 1-[4-(methoxymethyl)-2-[(2-methylphenyl)methyl]-1,3-thiazol-5-yl]-N-methylmethanamine?
1-[4-(methoxymethyl)-2-[(2-methylphenyl)methyl]-1,3-thiazol-5-yl]-N-methylmethanamine has a molecular weight of 276.41 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(methoxymethyl)-2-[(2-methylphenyl)methyl]-1,3-thiazol-5-yl]-N-methylmethanamine is sourced from PubChem (CID 114366066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).