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

C8H11N3O2S — CID 18184794

IUPAC2-(butanoylamino)-1,3-thiazole-5-carboxamide
SMILESCCCC(=O)Nc1ncc(C(N)=O)s1
InChIInChI=1S/C8H11N3O2S/c1-2-3-6(12)11-8-10-4-5(14-8)7(9)13/h4H,2-3H2,1H3,(H2,9,13)(H,10,11,12)
InChIKeyGOKUAJSKAQYQTL-UHFFFAOYSA-N
MW213.26 g/mol
LogP0.98
Rot. Bonds4

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

2-(butanoylamino)-1,3-thiazole-5-carboxamide (PubChem CID 18184794) has the molecular formula C8H11N3O2S and a molecular weight of 213.26 g/mol. Its IUPAC name is 2-(butanoylamino)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(butanoylamino)-1,3-thiazole-5-carboxamide
PubChem CID18184794
Molecular FormulaC8H11N3O2S
Molecular Weight213.26 g/mol
Exact Mass213.06
IUPAC Name2-(butanoylamino)-1,3-thiazole-5-carboxamide
SMILESCCCC(=O)Nc1ncc(C(N)=O)s1
InChIInChI=1S/C8H11N3O2S/c1-2-3-6(12)11-8-10-4-5(14-8)7(9)13/h4H,2-3H2,1H3,(H2,9,13)(H,10,11,12)
InChIKeyGOKUAJSKAQYQTL-UHFFFAOYSA-N
XLogP0.98
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.26
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(butanoylamino)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(butanoylamino)-1,3-thiazole-5-carboxamide (CID 18184794) is 2-(butanoylamino)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(butanoylamino)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(butanoylamino)-1,3-thiazole-5-carboxamide is CCCC(=O)Nc1ncc(C(N)=O)s1.
What is the InChIKey of 2-(butanoylamino)-1,3-thiazole-5-carboxamide?
The InChIKey is GOKUAJSKAQYQTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2S/c1-2-3-6(12)11-8-10-4-5(14-8)7(9)13/h4H,2-3H2,1H3,(H2,9,13)(H,10,11,12).
What are the key properties of 2-(butanoylamino)-1,3-thiazole-5-carboxamide?
2-(butanoylamino)-1,3-thiazole-5-carboxamide has a molecular weight of 213.26 g/mol, XLogP of 0.98, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butanoylamino)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 18184794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).