4-ethyl-2-methyl-1,3-thiazole-5-carbothioamide

C7H10N2S2 — CID 82428114

IUPAC4-ethyl-2-methyl-1,3-thiazole-5-carbothioamide
SMILESCCc1nc(C)sc1C(N)=S
InChIInChI=1S/C7H10N2S2/c1-3-5-6(7(8)10)11-4(2)9-5/h3H2,1-2H3,(H2,8,10)
InChIKeyGWMLLBJBRQWVOQ-UHFFFAOYSA-N
MW186.31 g/mol
LogP1.65
Rot. Bonds2

About 4-ethyl-2-methyl-1,3-thiazole-5-carbothioamide

4-ethyl-2-methyl-1,3-thiazole-5-carbothioamide (PubChem CID 82428114) has the molecular formula C7H10N2S2 and a molecular weight of 186.31 g/mol. Its IUPAC name is 4-ethyl-2-methyl-1,3-thiazole-5-carbothioamide.

Molecular Properties

Compound Name4-ethyl-2-methyl-1,3-thiazole-5-carbothioamide
PubChem CID82428114
Molecular FormulaC7H10N2S2
Molecular Weight186.31 g/mol
Exact Mass186.03
IUPAC Name4-ethyl-2-methyl-1,3-thiazole-5-carbothioamide
SMILESCCc1nc(C)sc1C(N)=S
InChIInChI=1S/C7H10N2S2/c1-3-5-6(7(8)10)11-4(2)9-5/h3H2,1-2H3,(H2,8,10)
InChIKeyGWMLLBJBRQWVOQ-UHFFFAOYSA-N
XLogP1.65
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.31
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-methyl-1,3-thiazole-5-carbothioamide?
The IUPAC name of 4-ethyl-2-methyl-1,3-thiazole-5-carbothioamide (CID 82428114) is 4-ethyl-2-methyl-1,3-thiazole-5-carbothioamide.
What is the SMILES notation for 4-ethyl-2-methyl-1,3-thiazole-5-carbothioamide?
The canonical SMILES for 4-ethyl-2-methyl-1,3-thiazole-5-carbothioamide is CCc1nc(C)sc1C(N)=S.
What is the InChIKey of 4-ethyl-2-methyl-1,3-thiazole-5-carbothioamide?
The InChIKey is GWMLLBJBRQWVOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2S2/c1-3-5-6(7(8)10)11-4(2)9-5/h3H2,1-2H3,(H2,8,10).
What are the key properties of 4-ethyl-2-methyl-1,3-thiazole-5-carbothioamide?
4-ethyl-2-methyl-1,3-thiazole-5-carbothioamide has a molecular weight of 186.31 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-methyl-1,3-thiazole-5-carbothioamide is sourced from PubChem (CID 82428114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).