5-(butanoylamino)-3-methyl-1,2-thiazole-4-carboxamide

C9H13N3O2S — CID 54757213

IUPAC5-(butanoylamino)-3-methyl-1,2-thiazole-4-carboxamide
SMILESCCCC(=O)Nc1snc(C)c1C(N)=O
InChIInChI=1S/C9H13N3O2S/c1-3-4-6(13)11-9-7(8(10)14)5(2)12-15-9/h3-4H2,1-2H3,(H2,10,14)(H,11,13)
InChIKeyMYRWPTCTZDWLDA-UHFFFAOYSA-N
MW227.29 g/mol
LogP1.29
Rot. Bonds4

About 5-(butanoylamino)-3-methyl-1,2-thiazole-4-carboxamide

5-(butanoylamino)-3-methyl-1,2-thiazole-4-carboxamide (PubChem CID 54757213) has the molecular formula C9H13N3O2S and a molecular weight of 227.29 g/mol. Its IUPAC name is 5-(butanoylamino)-3-methyl-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name5-(butanoylamino)-3-methyl-1,2-thiazole-4-carboxamide
PubChem CID54757213
Molecular FormulaC9H13N3O2S
Molecular Weight227.29 g/mol
Exact Mass227.07
IUPAC Name5-(butanoylamino)-3-methyl-1,2-thiazole-4-carboxamide
SMILESCCCC(=O)Nc1snc(C)c1C(N)=O
InChIInChI=1S/C9H13N3O2S/c1-3-4-6(13)11-9-7(8(10)14)5(2)12-15-9/h3-4H2,1-2H3,(H2,10,14)(H,11,13)
InChIKeyMYRWPTCTZDWLDA-UHFFFAOYSA-N
XLogP1.29
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 ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(butanoylamino)-3-methyl-1,2-thiazole-4-carboxamide?
The IUPAC name of 5-(butanoylamino)-3-methyl-1,2-thiazole-4-carboxamide (CID 54757213) is 5-(butanoylamino)-3-methyl-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 5-(butanoylamino)-3-methyl-1,2-thiazole-4-carboxamide?
The canonical SMILES for 5-(butanoylamino)-3-methyl-1,2-thiazole-4-carboxamide is CCCC(=O)Nc1snc(C)c1C(N)=O.
What is the InChIKey of 5-(butanoylamino)-3-methyl-1,2-thiazole-4-carboxamide?
The InChIKey is MYRWPTCTZDWLDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2S/c1-3-4-6(13)11-9-7(8(10)14)5(2)12-15-9/h3-4H2,1-2H3,(H2,10,14)(H,11,13).
What are the key properties of 5-(butanoylamino)-3-methyl-1,2-thiazole-4-carboxamide?
5-(butanoylamino)-3-methyl-1,2-thiazole-4-carboxamide has a molecular weight of 227.29 g/mol, XLogP of 1.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(butanoylamino)-3-methyl-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 54757213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).