3-ethyl-5-(propanoylamino)-1,2-thiazole-4-carboxamide

C9H13N3O2S — CID 134103425

IUPAC3-ethyl-5-(propanoylamino)-1,2-thiazole-4-carboxamide
SMILESCCC(=O)Nc1snc(CC)c1C(N)=O
InChIInChI=1S/C9H13N3O2S/c1-3-5-7(8(10)14)9(15-12-5)11-6(13)4-2/h3-4H2,1-2H3,(H2,10,14)(H,11,13)
InChIKeyBTGBXGSFIOJBEY-UHFFFAOYSA-N
MW227.29 g/mol
LogP1.15
Rot. Bonds4

About 3-ethyl-5-(propanoylamino)-1,2-thiazole-4-carboxamide

3-ethyl-5-(propanoylamino)-1,2-thiazole-4-carboxamide (PubChem CID 134103425) has the molecular formula C9H13N3O2S and a molecular weight of 227.29 g/mol. Its IUPAC name is 3-ethyl-5-(propanoylamino)-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name3-ethyl-5-(propanoylamino)-1,2-thiazole-4-carboxamide
PubChem CID134103425
Molecular FormulaC9H13N3O2S
Molecular Weight227.29 g/mol
Exact Mass227.07
IUPAC Name3-ethyl-5-(propanoylamino)-1,2-thiazole-4-carboxamide
SMILESCCC(=O)Nc1snc(CC)c1C(N)=O
InChIInChI=1S/C9H13N3O2S/c1-3-5-7(8(10)14)9(15-12-5)11-6(13)4-2/h3-4H2,1-2H3,(H2,10,14)(H,11,13)
InChIKeyBTGBXGSFIOJBEY-UHFFFAOYSA-N
XLogP1.15
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.29
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-(propanoylamino)-1,2-thiazole-4-carboxamide?
The IUPAC name of 3-ethyl-5-(propanoylamino)-1,2-thiazole-4-carboxamide (CID 134103425) is 3-ethyl-5-(propanoylamino)-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 3-ethyl-5-(propanoylamino)-1,2-thiazole-4-carboxamide?
The canonical SMILES for 3-ethyl-5-(propanoylamino)-1,2-thiazole-4-carboxamide is CCC(=O)Nc1snc(CC)c1C(N)=O.
What is the InChIKey of 3-ethyl-5-(propanoylamino)-1,2-thiazole-4-carboxamide?
The InChIKey is BTGBXGSFIOJBEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2S/c1-3-5-7(8(10)14)9(15-12-5)11-6(13)4-2/h3-4H2,1-2H3,(H2,10,14)(H,11,13).
What are the key properties of 3-ethyl-5-(propanoylamino)-1,2-thiazole-4-carboxamide?
3-ethyl-5-(propanoylamino)-1,2-thiazole-4-carboxamide has a molecular weight of 227.29 g/mol, XLogP of 1.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-(propanoylamino)-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 134103425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).