2-(propanoylamino)-1,3-thiazole-5-carboxamide

C7H9N3O2S — CID 22262893

IUPAC2-(propanoylamino)-1,3-thiazole-5-carboxamide
SMILESCCC(=O)Nc1ncc(C(N)=O)s1
InChIInChI=1S/C7H9N3O2S/c1-2-5(11)10-7-9-3-4(13-7)6(8)12/h3H,2H2,1H3,(H2,8,12)(H,9,10,11)
InChIKeyOTLJAYFYZSDZLO-UHFFFAOYSA-N
MW199.24 g/mol
LogP0.59
Rot. Bonds3

About 2-(propanoylamino)-1,3-thiazole-5-carboxamide

2-(propanoylamino)-1,3-thiazole-5-carboxamide (PubChem CID 22262893) has the molecular formula C7H9N3O2S and a molecular weight of 199.24 g/mol. Its IUPAC name is 2-(propanoylamino)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(propanoylamino)-1,3-thiazole-5-carboxamide
PubChem CID22262893
Molecular FormulaC7H9N3O2S
Molecular Weight199.24 g/mol
Exact Mass199.04
IUPAC Name2-(propanoylamino)-1,3-thiazole-5-carboxamide
SMILESCCC(=O)Nc1ncc(C(N)=O)s1
InChIInChI=1S/C7H9N3O2S/c1-2-5(11)10-7-9-3-4(13-7)6(8)12/h3H,2H2,1H3,(H2,8,12)(H,9,10,11)
InChIKeyOTLJAYFYZSDZLO-UHFFFAOYSA-N
XLogP0.59
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.24
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(propanoylamino)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(propanoylamino)-1,3-thiazole-5-carboxamide (CID 22262893) is 2-(propanoylamino)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(propanoylamino)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(propanoylamino)-1,3-thiazole-5-carboxamide is CCC(=O)Nc1ncc(C(N)=O)s1.
What is the InChIKey of 2-(propanoylamino)-1,3-thiazole-5-carboxamide?
The InChIKey is OTLJAYFYZSDZLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O2S/c1-2-5(11)10-7-9-3-4(13-7)6(8)12/h3H,2H2,1H3,(H2,8,12)(H,9,10,11).
What are the key properties of 2-(propanoylamino)-1,3-thiazole-5-carboxamide?
2-(propanoylamino)-1,3-thiazole-5-carboxamide has a molecular weight of 199.24 g/mol, XLogP of 0.59, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propanoylamino)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 22262893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).