2-[2-(2-methoxyphenoxy)ethyl]-4-methyl-1,3-thiazole-5-carbothioamide

C14H16N2O2S2 — CID 82426928

IUPAC2-[2-(2-methoxyphenoxy)ethyl]-4-methyl-1,3-thiazole-5-carbothioamide
SMILESCOc1ccccc1OCCc1nc(C)c(C(N)=S)s1
InChIInChI=1S/C14H16N2O2S2/c1-9-13(14(15)19)20-12(16-9)7-8-18-11-6-4-3-5-10(11)17-2/h3-6H,7-8H2,1-2H3,(H2,15,19)
InChIKeyXGKZPYJCHOSBRN-UHFFFAOYSA-N
MW308.43 g/mol
LogP2.72
Rot. Bonds6

About 2-[2-(2-methoxyphenoxy)ethyl]-4-methyl-1,3-thiazole-5-carbothioamide

2-[2-(2-methoxyphenoxy)ethyl]-4-methyl-1,3-thiazole-5-carbothioamide (PubChem CID 82426928) has the molecular formula C14H16N2O2S2 and a molecular weight of 308.43 g/mol. Its IUPAC name is 2-[2-(2-methoxyphenoxy)ethyl]-4-methyl-1,3-thiazole-5-carbothioamide.

Molecular Properties

Compound Name2-[2-(2-methoxyphenoxy)ethyl]-4-methyl-1,3-thiazole-5-carbothioamide
PubChem CID82426928
Molecular FormulaC14H16N2O2S2
Molecular Weight308.43 g/mol
Exact Mass308.07
IUPAC Name2-[2-(2-methoxyphenoxy)ethyl]-4-methyl-1,3-thiazole-5-carbothioamide
SMILESCOc1ccccc1OCCc1nc(C)c(C(N)=S)s1
InChIInChI=1S/C14H16N2O2S2/c1-9-13(14(15)19)20-12(16-9)7-8-18-11-6-4-3-5-10(11)17-2/h3-6H,7-8H2,1-2H3,(H2,15,19)
InChIKeyXGKZPYJCHOSBRN-UHFFFAOYSA-N
XLogP2.72
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-2-[2-(2-methylphenoxy)ethyl]-1,3-thiazole-5-carboxylic acid
CID 4874792
2-[(2-methoxyphenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 53263581
4-methyl-2-[2-(2-phenylphenoxy)ethyl]-1,3-thiazole-5-carboxylic acid
CID 4874789
2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carbothioamide
CID 82427335
2-[2-(2-methoxyphenoxy)ethoxy]benzenecarbothioamide
CID 22683395
4-methyl-2-[(3-methylphenoxy)methyl]-1,3-thiazole-5-carbothioamide
CID 82425986
5-[2-(2-methoxyphenoxy)ethyl]-1,3-thiazol-2-amine
CID 113370258
4-methyl-2-(3-naphthalen-1-yloxypropyl)-1,3-thiazole-5-carboxylic acid
CID 82154141
2-[2-[2-(2-ethoxyphenoxy)ethyl]-4-methyl-1,3-thiazol-5-yl]acetic acid
CID 94760749
2-[2-(2-tert-butyl-4-methoxyphenoxy)ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 4980916
4-methyl-2-(2-naphthalen-2-yloxyethyl)-1,3-thiazole-5-carboxylic acid
CID 94760593
N-[[2-[2-(2-methoxyphenoxy)ethyl]-1,3-thiazol-4-yl]methyl]ethanamine
CID 82193935

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxyphenoxy)ethyl]-4-methyl-1,3-thiazole-5-carbothioamide?
The IUPAC name of 2-[2-(2-methoxyphenoxy)ethyl]-4-methyl-1,3-thiazole-5-carbothioamide (CID 82426928) is 2-[2-(2-methoxyphenoxy)ethyl]-4-methyl-1,3-thiazole-5-carbothioamide.
What is the SMILES notation for 2-[2-(2-methoxyphenoxy)ethyl]-4-methyl-1,3-thiazole-5-carbothioamide?
The canonical SMILES for 2-[2-(2-methoxyphenoxy)ethyl]-4-methyl-1,3-thiazole-5-carbothioamide is COc1ccccc1OCCc1nc(C)c(C(N)=S)s1.
What is the InChIKey of 2-[2-(2-methoxyphenoxy)ethyl]-4-methyl-1,3-thiazole-5-carbothioamide?
The InChIKey is XGKZPYJCHOSBRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S2/c1-9-13(14(15)19)20-12(16-9)7-8-18-11-6-4-3-5-10(11)17-2/h3-6H,7-8H2,1-2H3,(H2,15,19).
What are the key properties of 2-[2-(2-methoxyphenoxy)ethyl]-4-methyl-1,3-thiazole-5-carbothioamide?
2-[2-(2-methoxyphenoxy)ethyl]-4-methyl-1,3-thiazole-5-carbothioamide has a molecular weight of 308.43 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxyphenoxy)ethyl]-4-methyl-1,3-thiazole-5-carbothioamide is sourced from PubChem (CID 82426928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).