4-methylsulfanyl-1,3-thiazole-2-carboxamide

C5H6N2OS2 — CID 121226614

IUPAC4-methylsulfanyl-1,3-thiazole-2-carboxamide
SMILESCSc1csc(C(N)=O)n1
InChIInChI=1S/C5H6N2OS2/c1-9-3-2-10-5(7-3)4(6)8/h2H,1H3,(H2,6,8)
InChIKeyUIXYWITYZTWPQE-UHFFFAOYSA-N
MW174.25 g/mol
LogP0.96
Rot. Bonds2

About 4-methylsulfanyl-1,3-thiazole-2-carboxamide

4-methylsulfanyl-1,3-thiazole-2-carboxamide (PubChem CID 121226614) has the molecular formula C5H6N2OS2 and a molecular weight of 174.25 g/mol. Its IUPAC name is 4-methylsulfanyl-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound Name4-methylsulfanyl-1,3-thiazole-2-carboxamide
PubChem CID121226614
Molecular FormulaC5H6N2OS2
Molecular Weight174.25 g/mol
Exact Mass173.99
IUPAC Name4-methylsulfanyl-1,3-thiazole-2-carboxamide
SMILESCSc1csc(C(N)=O)n1
InChIInChI=1S/C5H6N2OS2/c1-9-3-2-10-5(7-3)4(6)8/h2H,1H3,(H2,6,8)
InChIKeyUIXYWITYZTWPQE-UHFFFAOYSA-N
XLogP0.96
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methylsulfanyl-1,3-thiazole-2-carboxamide?
The IUPAC name of 4-methylsulfanyl-1,3-thiazole-2-carboxamide (CID 121226614) is 4-methylsulfanyl-1,3-thiazole-2-carboxamide.
What is the SMILES notation for 4-methylsulfanyl-1,3-thiazole-2-carboxamide?
The canonical SMILES for 4-methylsulfanyl-1,3-thiazole-2-carboxamide is CSc1csc(C(N)=O)n1.
What is the InChIKey of 4-methylsulfanyl-1,3-thiazole-2-carboxamide?
The InChIKey is UIXYWITYZTWPQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2OS2/c1-9-3-2-10-5(7-3)4(6)8/h2H,1H3,(H2,6,8).
What are the key properties of 4-methylsulfanyl-1,3-thiazole-2-carboxamide?
4-methylsulfanyl-1,3-thiazole-2-carboxamide has a molecular weight of 174.25 g/mol, XLogP of 0.96, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfanyl-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 121226614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).