4-ethyl-2-(2-methoxyphenyl)-1,3-thiazole-5-carbothioamide

C13H14N2OS2 — CID 82429979

IUPAC4-ethyl-2-(2-methoxyphenyl)-1,3-thiazole-5-carbothioamide
SMILESCCc1nc(-c2ccccc2OC)sc1C(N)=S
InChIInChI=1S/C13H14N2OS2/c1-3-9-11(12(14)17)18-13(15-9)8-6-4-5-7-10(8)16-2/h4-7H,3H2,1-2H3,(H2,14,17)
InChIKeyQALVDIHSJIHAFT-UHFFFAOYSA-N
MW278.40 g/mol
LogP3.02
Rot. Bonds4

About 4-ethyl-2-(2-methoxyphenyl)-1,3-thiazole-5-carbothioamide

4-ethyl-2-(2-methoxyphenyl)-1,3-thiazole-5-carbothioamide (PubChem CID 82429979) has the molecular formula C13H14N2OS2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 4-ethyl-2-(2-methoxyphenyl)-1,3-thiazole-5-carbothioamide.

Molecular Properties

Compound Name4-ethyl-2-(2-methoxyphenyl)-1,3-thiazole-5-carbothioamide
PubChem CID82429979
Molecular FormulaC13H14N2OS2
Molecular Weight278.40 g/mol
Exact Mass278.05
IUPAC Name4-ethyl-2-(2-methoxyphenyl)-1,3-thiazole-5-carbothioamide
SMILESCCc1nc(-c2ccccc2OC)sc1C(N)=S
InChIInChI=1S/C13H14N2OS2/c1-3-9-11(12(14)17)18-13(15-9)8-6-4-5-7-10(8)16-2/h4-7H,3H2,1-2H3,(H2,14,17)
InChIKeyQALVDIHSJIHAFT-UHFFFAOYSA-N
XLogP3.02
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methoxyphenyl)-4-propyl-1,3-thiazole-5-carboximidamide
CID 82432584
4-(methoxymethyl)-2-(2-methylphenyl)-1,3-thiazole-5-carbothioamide
CID 82439956
4-ethyl-2-thiophen-2-yl-1,3-thiazole-5-carbothioamide
CID 82430275
2-(2-chlorophenyl)-4-propyl-1,3-thiazole-5-carbothioamide
CID 82431582
2-benzyl-4-ethyl-1,3-thiazole-5-carbothioamide
CID 82428384
4-ethyl-2-(3-methylphenyl)-1,3-thiazole-5-carbothioamide
CID 82428610
2-(2-ethoxy-3-methoxyphenyl)-4-ethyl-1,3-thiazole-5-carboxylic acid
CID 20991959
2-[2-(2-methoxyphenyl)-4-propyl-1,3-thiazol-5-yl]propan-2-amine
CID 82432590
2-(2-methoxyphenyl)-4-methyl-1,3-thiazole-5-carbohydrazide
CID 82427033
4-ethyl-2-[3-methoxy-2-(2-phenoxyethoxy)phenyl]-1,3-thiazole-5-carboxylic acid
CID 20985225
[2-(2-methoxyphenyl)-5-phenyl-1,3-thiazol-4-yl]methanamine
CID 64717924
4-ethyl-2-[3-methoxy-2-(3-phenylpropoxy)phenyl]-1,3-thiazole-5-carboxylic acid
CID 20991114

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-(2-methoxyphenyl)-1,3-thiazole-5-carbothioamide?
The IUPAC name of 4-ethyl-2-(2-methoxyphenyl)-1,3-thiazole-5-carbothioamide (CID 82429979) is 4-ethyl-2-(2-methoxyphenyl)-1,3-thiazole-5-carbothioamide.
What is the SMILES notation for 4-ethyl-2-(2-methoxyphenyl)-1,3-thiazole-5-carbothioamide?
The canonical SMILES for 4-ethyl-2-(2-methoxyphenyl)-1,3-thiazole-5-carbothioamide is CCc1nc(-c2ccccc2OC)sc1C(N)=S.
What is the InChIKey of 4-ethyl-2-(2-methoxyphenyl)-1,3-thiazole-5-carbothioamide?
The InChIKey is QALVDIHSJIHAFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2OS2/c1-3-9-11(12(14)17)18-13(15-9)8-6-4-5-7-10(8)16-2/h4-7H,3H2,1-2H3,(H2,14,17).
What are the key properties of 4-ethyl-2-(2-methoxyphenyl)-1,3-thiazole-5-carbothioamide?
4-ethyl-2-(2-methoxyphenyl)-1,3-thiazole-5-carbothioamide has a molecular weight of 278.40 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-(2-methoxyphenyl)-1,3-thiazole-5-carbothioamide is sourced from PubChem (CID 82429979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).