5-cyano-3-(2-oxopropyl)-N-propyl-1,2-thiazole-4-carboxamide

C11H13N3O2S — CID 86214824

IUPAC5-cyano-3-(2-oxopropyl)-N-propyl-1,2-thiazole-4-carboxamide
SMILESCCCNC(=O)c1c(CC(C)=O)nsc1C#N
InChIInChI=1S/C11H13N3O2S/c1-3-4-13-11(16)10-8(5-7(2)15)14-17-9(10)6-12/h3-5H2,1-2H3,(H,13,16)
InChIKeyHGLYCFCALHJPPJ-UHFFFAOYSA-N
MW251.31 g/mol
LogP1.29
Rot. Bonds5

About 5-cyano-3-(2-oxopropyl)-N-propyl-1,2-thiazole-4-carboxamide

5-cyano-3-(2-oxopropyl)-N-propyl-1,2-thiazole-4-carboxamide (PubChem CID 86214824) has the molecular formula C11H13N3O2S and a molecular weight of 251.31 g/mol. Its IUPAC name is 5-cyano-3-(2-oxopropyl)-N-propyl-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name5-cyano-3-(2-oxopropyl)-N-propyl-1,2-thiazole-4-carboxamide
PubChem CID86214824
Molecular FormulaC11H13N3O2S
Molecular Weight251.31 g/mol
Exact Mass251.07
IUPAC Name5-cyano-3-(2-oxopropyl)-N-propyl-1,2-thiazole-4-carboxamide
SMILESCCCNC(=O)c1c(CC(C)=O)nsc1C#N
InChIInChI=1S/C11H13N3O2S/c1-3-4-13-11(16)10-8(5-7(2)15)14-17-9(10)6-12/h3-5H2,1-2H3,(H,13,16)
InChIKeyHGLYCFCALHJPPJ-UHFFFAOYSA-N
XLogP1.29
TPSA82.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-oxopropyl)-6,7,8,9-tetrahydro-5H-[1,2]thiazolo[4,5-g][1,5]diazonine-4,10-dione
CID 91288898

Frequently Asked Questions

What is the IUPAC name of 5-cyano-3-(2-oxopropyl)-N-propyl-1,2-thiazole-4-carboxamide?
The IUPAC name of 5-cyano-3-(2-oxopropyl)-N-propyl-1,2-thiazole-4-carboxamide (CID 86214824) is 5-cyano-3-(2-oxopropyl)-N-propyl-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 5-cyano-3-(2-oxopropyl)-N-propyl-1,2-thiazole-4-carboxamide?
The canonical SMILES for 5-cyano-3-(2-oxopropyl)-N-propyl-1,2-thiazole-4-carboxamide is CCCNC(=O)c1c(CC(C)=O)nsc1C#N.
What is the InChIKey of 5-cyano-3-(2-oxopropyl)-N-propyl-1,2-thiazole-4-carboxamide?
The InChIKey is HGLYCFCALHJPPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2S/c1-3-4-13-11(16)10-8(5-7(2)15)14-17-9(10)6-12/h3-5H2,1-2H3,(H,13,16).
What are the key properties of 5-cyano-3-(2-oxopropyl)-N-propyl-1,2-thiazole-4-carboxamide?
5-cyano-3-(2-oxopropyl)-N-propyl-1,2-thiazole-4-carboxamide has a molecular weight of 251.31 g/mol, XLogP of 1.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-3-(2-oxopropyl)-N-propyl-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 86214824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).