3-(methylsulfanylmethyl)-2-oxo-1,3-thiazole-4-carboxamide

C6H8N2O2S2 — CID 54568924

IUPAC3-(methylsulfanylmethyl)-2-oxo-1,3-thiazole-4-carboxamide
SMILESCSCn1c(C(N)=O)csc1=O
InChIInChI=1S/C6H8N2O2S2/c1-11-3-8-4(5(7)9)2-12-6(8)10/h2H,3H2,1H3,(H2,7,9)
InChIKeyZVVRMBZKRFWYPC-UHFFFAOYSA-N
MW204.28 g/mol
LogP0.33
Rot. Bonds3

About 3-(methylsulfanylmethyl)-2-oxo-1,3-thiazole-4-carboxamide

3-(methylsulfanylmethyl)-2-oxo-1,3-thiazole-4-carboxamide (PubChem CID 54568924) has the molecular formula C6H8N2O2S2 and a molecular weight of 204.28 g/mol. Its IUPAC name is 3-(methylsulfanylmethyl)-2-oxo-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name3-(methylsulfanylmethyl)-2-oxo-1,3-thiazole-4-carboxamide
PubChem CID54568924
Molecular FormulaC6H8N2O2S2
Molecular Weight204.28 g/mol
Exact Mass204.00
IUPAC Name3-(methylsulfanylmethyl)-2-oxo-1,3-thiazole-4-carboxamide
SMILESCSCn1c(C(N)=O)csc1=O
InChIInChI=1S/C6H8N2O2S2/c1-11-3-8-4(5(7)9)2-12-6(8)10/h2H,3H2,1H3,(H2,7,9)
InChIKeyZVVRMBZKRFWYPC-UHFFFAOYSA-N
XLogP0.33
TPSA65.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.28
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(methylsulfanylmethyl)-2-oxo-1,3-thiazole-4-carboxamide?
The IUPAC name of 3-(methylsulfanylmethyl)-2-oxo-1,3-thiazole-4-carboxamide (CID 54568924) is 3-(methylsulfanylmethyl)-2-oxo-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 3-(methylsulfanylmethyl)-2-oxo-1,3-thiazole-4-carboxamide?
The canonical SMILES for 3-(methylsulfanylmethyl)-2-oxo-1,3-thiazole-4-carboxamide is CSCn1c(C(N)=O)csc1=O.
What is the InChIKey of 3-(methylsulfanylmethyl)-2-oxo-1,3-thiazole-4-carboxamide?
The InChIKey is ZVVRMBZKRFWYPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2S2/c1-11-3-8-4(5(7)9)2-12-6(8)10/h2H,3H2,1H3,(H2,7,9).
What are the key properties of 3-(methylsulfanylmethyl)-2-oxo-1,3-thiazole-4-carboxamide?
3-(methylsulfanylmethyl)-2-oxo-1,3-thiazole-4-carboxamide has a molecular weight of 204.28 g/mol, XLogP of 0.33, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylsulfanylmethyl)-2-oxo-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 54568924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).