[4-(methoxymethyl)-2-[(4-methylphenoxy)methyl]-1,3-thiazol-5-yl]methanethiol

C14H17NO2S2 — CID 82440431

IUPAC[4-(methoxymethyl)-2-[(4-methylphenoxy)methyl]-1,3-thiazol-5-yl]methanethiol
SMILESCOCc1nc(COc2ccc(C)cc2)sc1CS
InChIInChI=1S/C14H17NO2S2/c1-10-3-5-11(6-4-10)17-8-14-15-12(7-16-2)13(9-18)19-14/h3-6,18H,7-9H2,1-2H3
InChIKeyAKEZIBREFHAKHE-UHFFFAOYSA-N
MW295.43 g/mol
LogP3.61
Rot. Bonds6

About [4-(methoxymethyl)-2-[(4-methylphenoxy)methyl]-1,3-thiazol-5-yl]methanethiol

[4-(methoxymethyl)-2-[(4-methylphenoxy)methyl]-1,3-thiazol-5-yl]methanethiol (PubChem CID 82440431) has the molecular formula C14H17NO2S2 and a molecular weight of 295.43 g/mol. Its IUPAC name is [4-(methoxymethyl)-2-[(4-methylphenoxy)methyl]-1,3-thiazol-5-yl]methanethiol.

Molecular Properties

Compound Name[4-(methoxymethyl)-2-[(4-methylphenoxy)methyl]-1,3-thiazol-5-yl]methanethiol
PubChem CID82440431
Molecular FormulaC14H17NO2S2
Molecular Weight295.43 g/mol
Exact Mass295.07
IUPAC Name[4-(methoxymethyl)-2-[(4-methylphenoxy)methyl]-1,3-thiazol-5-yl]methanethiol
SMILESCOCc1nc(COc2ccc(C)cc2)sc1CS
InChIInChI=1S/C14H17NO2S2/c1-10-3-5-11(6-4-10)17-8-14-15-12(7-16-2)13(9-18)19-14/h3-6,18H,7-9H2,1-2H3
InChIKeyAKEZIBREFHAKHE-UHFFFAOYSA-N
XLogP3.61
TPSA31.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

[4-methyl-2-[(4-methylphenoxy)methyl]-1,3-thiazol-5-yl]methanethiol
CID 82426004
[4-(methoxymethyl)-2-[(4-methoxyphenoxy)methyl]-1,3-thiazol-5-yl]methanol
CID 82440580
1-[4-(methoxymethyl)-2-[(4-methoxyphenoxy)methyl]-1,3-thiazol-5-yl]-N-methylmethanamine
CID 82440582
1-[4-(methoxymethyl)-2-(phenoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 82440375
[4-(methoxymethyl)-2-[(3-methylphenoxy)methyl]-1,3-thiazol-5-yl]methanol
CID 82440408
N-[[2-[(4-fluorophenoxy)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 82440542
N-[[2-[(4-methylphenoxy)methyl]-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 82431840
[2-[(2,5-dimethylphenoxy)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine
CID 82440498
[2-[(2,5-dimethylphenoxy)methyl]-4-propyl-1,3-thiazol-5-yl]methanethiol
CID 82431911
1-[2-[(2,5-dimethylphenoxy)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 82440494
[4-(methoxymethyl)-2-[(3-methoxyphenoxy)methyl]-1,3-thiazol-5-yl]methanamine
CID 82440577
1-[4-ethyl-2-[(4-methylphenoxy)methyl]-1,3-thiazol-5-yl]ethanone
CID 82428850

Frequently Asked Questions

What is the IUPAC name of [4-(methoxymethyl)-2-[(4-methylphenoxy)methyl]-1,3-thiazol-5-yl]methanethiol?
The IUPAC name of [4-(methoxymethyl)-2-[(4-methylphenoxy)methyl]-1,3-thiazol-5-yl]methanethiol (CID 82440431) is [4-(methoxymethyl)-2-[(4-methylphenoxy)methyl]-1,3-thiazol-5-yl]methanethiol.
What is the SMILES notation for [4-(methoxymethyl)-2-[(4-methylphenoxy)methyl]-1,3-thiazol-5-yl]methanethiol?
The canonical SMILES for [4-(methoxymethyl)-2-[(4-methylphenoxy)methyl]-1,3-thiazol-5-yl]methanethiol is COCc1nc(COc2ccc(C)cc2)sc1CS.
What is the InChIKey of [4-(methoxymethyl)-2-[(4-methylphenoxy)methyl]-1,3-thiazol-5-yl]methanethiol?
The InChIKey is AKEZIBREFHAKHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2S2/c1-10-3-5-11(6-4-10)17-8-14-15-12(7-16-2)13(9-18)19-14/h3-6,18H,7-9H2,1-2H3.
What are the key properties of [4-(methoxymethyl)-2-[(4-methylphenoxy)methyl]-1,3-thiazol-5-yl]methanethiol?
[4-(methoxymethyl)-2-[(4-methylphenoxy)methyl]-1,3-thiazol-5-yl]methanethiol has a molecular weight of 295.43 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(methoxymethyl)-2-[(4-methylphenoxy)methyl]-1,3-thiazol-5-yl]methanethiol is sourced from PubChem (CID 82440431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).