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

C16H22N2OS — CID 114366014

IUPAC1-[2-[(3,4-dimethylphenyl)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine
SMILESCNCc1sc(Cc2ccc(C)c(C)c2)nc1COC
InChIInChI=1S/C16H22N2OS/c1-11-5-6-13(7-12(11)2)8-16-18-14(10-19-4)15(20-16)9-17-3/h5-7,17H,8-10H2,1-4H3
InChIKeyADNSMSRWGDDNPD-UHFFFAOYSA-N
MW290.43 g/mol
LogP3.22
Rot. Bonds6

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

1-[2-[(3,4-dimethylphenyl)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine (PubChem CID 114366014) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is 1-[2-[(3,4-dimethylphenyl)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-[(3,4-dimethylphenyl)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine
PubChem CID114366014
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC Name1-[2-[(3,4-dimethylphenyl)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine
SMILESCNCc1sc(Cc2ccc(C)c(C)c2)nc1COC
InChIInChI=1S/C16H22N2OS/c1-11-5-6-13(7-12(11)2)8-16-18-14(10-19-4)15(20-16)9-17-3/h5-7,17H,8-10H2,1-4H3
InChIKeyADNSMSRWGDDNPD-UHFFFAOYSA-N
XLogP3.22
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 53.22
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-[2-[(2,5-dimethylphenoxy)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 82440494
1-[4-cyclopropyl-2-[(3,4-dimethylphenyl)methyl]-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114366991
1-[4-(methoxymethyl)-2-[2-(2-methylphenoxy)ethyl]-1,3-thiazol-5-yl]-N-methylmethanamine
CID 82441029
1-[2-[(2,6-dichlorophenyl)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114366065
1-[4-(methoxymethyl)-2-[(4-methoxyphenoxy)methyl]-1,3-thiazol-5-yl]-N-methylmethanamine
CID 82440582
[2-[(3,4-dimethoxyphenyl)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol
CID 82440112
1-[2-(ethylsulfanylmethyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 82440651
N-[[2-[(3,4-dimethylphenyl)methyl]-4-methyl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 62904386
1-[4-(methoxymethyl)-2-(phenoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 82440375
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

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3,4-dimethylphenyl)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-[(3,4-dimethylphenyl)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine (CID 114366014) is 1-[2-[(3,4-dimethylphenyl)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-[(3,4-dimethylphenyl)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-[(3,4-dimethylphenyl)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine is CNCc1sc(Cc2ccc(C)c(C)c2)nc1COC.
What is the InChIKey of 1-[2-[(3,4-dimethylphenyl)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine?
The InChIKey is ADNSMSRWGDDNPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS/c1-11-5-6-13(7-12(11)2)8-16-18-14(10-19-4)15(20-16)9-17-3/h5-7,17H,8-10H2,1-4H3.
What are the key properties of 1-[2-[(3,4-dimethylphenyl)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine?
1-[2-[(3,4-dimethylphenyl)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine has a molecular weight of 290.43 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3,4-dimethylphenyl)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine is sourced from PubChem (CID 114366014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).