2-(4-methyl-1,3-thiazol-2-yl)ethanethioamide

C6H8N2S2 — CID 4962476

IUPAC2-(4-methyl-1,3-thiazol-2-yl)ethanethioamide
SMILESCc1csc(CC(N)=S)n1
InChIInChI=1S/C6H8N2S2/c1-4-3-10-6(8-4)2-5(7)9/h3H,2H2,1H3,(H2,7,9)
InChIKeyGIRPOGVYTBVPIZ-UHFFFAOYSA-N
MW172.28 g/mol
LogP1.28
Rot. Bonds2

About 2-(4-methyl-1,3-thiazol-2-yl)ethanethioamide

2-(4-methyl-1,3-thiazol-2-yl)ethanethioamide (PubChem CID 4962476) has the molecular formula C6H8N2S2 and a molecular weight of 172.28 g/mol. Its IUPAC name is 2-(4-methyl-1,3-thiazol-2-yl)ethanethioamide.

Molecular Properties

Compound Name2-(4-methyl-1,3-thiazol-2-yl)ethanethioamide
PubChem CID4962476
Molecular FormulaC6H8N2S2
Molecular Weight172.28 g/mol
Exact Mass172.01
IUPAC Name2-(4-methyl-1,3-thiazol-2-yl)ethanethioamide
SMILESCc1csc(CC(N)=S)n1
InChIInChI=1S/C6H8N2S2/c1-4-3-10-6(8-4)2-5(7)9/h3H,2H2,1H3,(H2,7,9)
InChIKeyGIRPOGVYTBVPIZ-UHFFFAOYSA-N
XLogP1.28
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.28
LogP ≤ 51.28
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 2-(4-methyl-1,3-thiazol-2-yl)ethanethioamide?
The IUPAC name of 2-(4-methyl-1,3-thiazol-2-yl)ethanethioamide (CID 4962476) is 2-(4-methyl-1,3-thiazol-2-yl)ethanethioamide.
What is the SMILES notation for 2-(4-methyl-1,3-thiazol-2-yl)ethanethioamide?
The canonical SMILES for 2-(4-methyl-1,3-thiazol-2-yl)ethanethioamide is Cc1csc(CC(N)=S)n1.
What is the InChIKey of 2-(4-methyl-1,3-thiazol-2-yl)ethanethioamide?
The InChIKey is GIRPOGVYTBVPIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2S2/c1-4-3-10-6(8-4)2-5(7)9/h3H,2H2,1H3,(H2,7,9).
What are the key properties of 2-(4-methyl-1,3-thiazol-2-yl)ethanethioamide?
2-(4-methyl-1,3-thiazol-2-yl)ethanethioamide has a molecular weight of 172.28 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-1,3-thiazol-2-yl)ethanethioamide is sourced from PubChem (CID 4962476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).