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

C14H18N2OS2 — CID 106849687

IUPAC1-[4-(methoxymethyl)-2-(4-methylsulfanylphenyl)-1,3-thiazol-5-yl]-N-methylmethanamine
SMILESCNCc1sc(-c2ccc(SC)cc2)nc1COC
InChIInChI=1S/C14H18N2OS2/c1-15-8-13-12(9-17-2)16-14(19-13)10-4-6-11(18-3)7-5-10/h4-7,15H,8-9H2,1-3H3
InChIKeyGWNIDHQUBGTPOC-UHFFFAOYSA-N
MW294.45 g/mol
LogP3.40
Rot. Bonds6

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

1-[4-(methoxymethyl)-2-(4-methylsulfanylphenyl)-1,3-thiazol-5-yl]-N-methylmethanamine (PubChem CID 106849687) has the molecular formula C14H18N2OS2 and a molecular weight of 294.45 g/mol. Its IUPAC name is 1-[4-(methoxymethyl)-2-(4-methylsulfanylphenyl)-1,3-thiazol-5-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-(methoxymethyl)-2-(4-methylsulfanylphenyl)-1,3-thiazol-5-yl]-N-methylmethanamine
PubChem CID106849687
Molecular FormulaC14H18N2OS2
Molecular Weight294.45 g/mol
Exact Mass294.09
IUPAC Name1-[4-(methoxymethyl)-2-(4-methylsulfanylphenyl)-1,3-thiazol-5-yl]-N-methylmethanamine
SMILESCNCc1sc(-c2ccc(SC)cc2)nc1COC
InChIInChI=1S/C14H18N2OS2/c1-15-8-13-12(9-17-2)16-14(19-13)10-4-6-11(18-3)7-5-10/h4-7,15H,8-9H2,1-3H3
InChIKeyGWNIDHQUBGTPOC-UHFFFAOYSA-N
XLogP3.40
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.45
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(methoxymethyl)-2-thiophen-3-yl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114366006
1-[2-(3-fluorophenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114366087
N-methyl-1-[2-(4-methylsulfanylphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine
CID 106849680
N-methyl-1-[2-(4-methylsulfanylphenyl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 106849657
N-[[2-(4-fluorophenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 114366189
1-[2-(2-fluoro-6-methoxyphenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114366048
1-[4-(methoxymethyl)-2-methyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 82439850
1-[2-(3,5-dimethoxyphenyl)-4-ethyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 103399663
1-[4-ethyl-2-(4-propoxyphenyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 82430102
1-[2-(4-bromo-2-methylphenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 103083898
[4-methyl-2-(4-methylsulfanylphenyl)-1,3-thiazol-5-yl]methanamine
CID 106849619
N-methyl-1-[2-(4-methylphenyl)-4-propyl-1,3-thiazol-5-yl]methanamine
CID 82431617

Frequently Asked Questions

What is the IUPAC name of 1-[4-(methoxymethyl)-2-(4-methylsulfanylphenyl)-1,3-thiazol-5-yl]-N-methylmethanamine?
The IUPAC name of 1-[4-(methoxymethyl)-2-(4-methylsulfanylphenyl)-1,3-thiazol-5-yl]-N-methylmethanamine (CID 106849687) is 1-[4-(methoxymethyl)-2-(4-methylsulfanylphenyl)-1,3-thiazol-5-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-(methoxymethyl)-2-(4-methylsulfanylphenyl)-1,3-thiazol-5-yl]-N-methylmethanamine?
The canonical SMILES for 1-[4-(methoxymethyl)-2-(4-methylsulfanylphenyl)-1,3-thiazol-5-yl]-N-methylmethanamine is CNCc1sc(-c2ccc(SC)cc2)nc1COC.
What is the InChIKey of 1-[4-(methoxymethyl)-2-(4-methylsulfanylphenyl)-1,3-thiazol-5-yl]-N-methylmethanamine?
The InChIKey is GWNIDHQUBGTPOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS2/c1-15-8-13-12(9-17-2)16-14(19-13)10-4-6-11(18-3)7-5-10/h4-7,15H,8-9H2,1-3H3.
What are the key properties of 1-[4-(methoxymethyl)-2-(4-methylsulfanylphenyl)-1,3-thiazol-5-yl]-N-methylmethanamine?
1-[4-(methoxymethyl)-2-(4-methylsulfanylphenyl)-1,3-thiazol-5-yl]-N-methylmethanamine has a molecular weight of 294.45 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(methoxymethyl)-2-(4-methylsulfanylphenyl)-1,3-thiazol-5-yl]-N-methylmethanamine is sourced from PubChem (CID 106849687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).