2-(2-methoxyethyl)-1,3-thiazole-5-carbothioamide

C7H10N2OS2 — CID 82422332

IUPAC2-(2-methoxyethyl)-1,3-thiazole-5-carbothioamide
SMILESCOCCc1ncc(C(N)=S)s1
InChIInChI=1S/C7H10N2OS2/c1-10-3-2-6-9-4-5(12-6)7(8)11/h4H,2-3H2,1H3,(H2,8,11)
InChIKeyZBWYGYVABSTHRJ-UHFFFAOYSA-N
MW202.30 g/mol
LogP0.97
Rot. Bonds4

About 2-(2-methoxyethyl)-1,3-thiazole-5-carbothioamide

2-(2-methoxyethyl)-1,3-thiazole-5-carbothioamide (PubChem CID 82422332) has the molecular formula C7H10N2OS2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 2-(2-methoxyethyl)-1,3-thiazole-5-carbothioamide.

Molecular Properties

Compound Name2-(2-methoxyethyl)-1,3-thiazole-5-carbothioamide
PubChem CID82422332
Molecular FormulaC7H10N2OS2
Molecular Weight202.30 g/mol
Exact Mass202.02
IUPAC Name2-(2-methoxyethyl)-1,3-thiazole-5-carbothioamide
SMILESCOCCc1ncc(C(N)=S)s1
InChIInChI=1S/C7H10N2OS2/c1-10-3-2-6-9-4-5(12-6)7(8)11/h4H,2-3H2,1H3,(H2,8,11)
InChIKeyZBWYGYVABSTHRJ-UHFFFAOYSA-N
XLogP0.97
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 50.97
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-methoxyethyl)-1,3-thiazole-5-carboximidamide
CID 82422333
2-ethyl-1,3-thiazole-5-carbothioamide
CID 82514753
2-[2-(4-propan-2-ylphenoxy)ethyl]-1,3-thiazole-5-carbothioamide
CID 82423825
2-[2-(2-propan-2-ylphenoxy)ethyl]-1,3-thiazole-5-carbothioamide
CID 82423853
2-[(4-tert-butylphenoxy)methyl]-1,3-thiazole-5-carbothioamide
CID 82422837
2-[(2-methylphenoxy)methyl]-1,3-thiazole-5-carbothioamide
CID 82422746
2-(2-aminoethyl)-N-methoxy-N-methyl-1,3-thiazole-5-carboxamide
CID 165451079
1-[2-(2-ethoxyethyl)-1,3-thiazol-5-yl]ethanone
CID 106815106
2-[4-(2-methoxyethyl)phenoxy]ethanethioamide
CID 43352082
2-methoxyethyl 2-(2-methoxyethoxy)-1,3-thiazole-5-carboxylate
CID 126503353
2-[2-(2,3-dimethylphenoxy)ethyl]-1,3-thiazole-5-carbohydrazide
CID 82423897
2-[2-(4-propan-2-ylphenoxy)ethyl]-1,3-thiazole-5-carbohydrazide
CID 82423832

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethyl)-1,3-thiazole-5-carbothioamide?
The IUPAC name of 2-(2-methoxyethyl)-1,3-thiazole-5-carbothioamide (CID 82422332) is 2-(2-methoxyethyl)-1,3-thiazole-5-carbothioamide.
What is the SMILES notation for 2-(2-methoxyethyl)-1,3-thiazole-5-carbothioamide?
The canonical SMILES for 2-(2-methoxyethyl)-1,3-thiazole-5-carbothioamide is COCCc1ncc(C(N)=S)s1.
What is the InChIKey of 2-(2-methoxyethyl)-1,3-thiazole-5-carbothioamide?
The InChIKey is ZBWYGYVABSTHRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2OS2/c1-10-3-2-6-9-4-5(12-6)7(8)11/h4H,2-3H2,1H3,(H2,8,11).
What are the key properties of 2-(2-methoxyethyl)-1,3-thiazole-5-carbothioamide?
2-(2-methoxyethyl)-1,3-thiazole-5-carbothioamide has a molecular weight of 202.30 g/mol, XLogP of 0.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethyl)-1,3-thiazole-5-carbothioamide is sourced from PubChem (CID 82422332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).