2-acetamido-N-[2-oxo-2-(propylamino)ethyl]-1,3-thiazole-4-carboxamide

C11H16N4O3S — CID 47028838

IUPAC2-acetamido-N-[2-oxo-2-(propylamino)ethyl]-1,3-thiazole-4-carboxamide
SMILESCCCNC(=O)CNC(=O)c1csc(NC(C)=O)n1
InChIInChI=1S/C11H16N4O3S/c1-3-4-12-9(17)5-13-10(18)8-6-19-11(15-8)14-7(2)16/h6H,3-5H2,1-2H3,(H,12,17)(H,13,18)(H,14,15,16)
InChIKeyPLDPRZXLMGIHPR-UHFFFAOYSA-N
MW284.34 g/mol
LogP0.36
Rot. Bonds6

About 2-acetamido-N-[2-oxo-2-(propylamino)ethyl]-1,3-thiazole-4-carboxamide

2-acetamido-N-[2-oxo-2-(propylamino)ethyl]-1,3-thiazole-4-carboxamide (PubChem CID 47028838) has the molecular formula C11H16N4O3S and a molecular weight of 284.34 g/mol. Its IUPAC name is 2-acetamido-N-[2-oxo-2-(propylamino)ethyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-acetamido-N-[2-oxo-2-(propylamino)ethyl]-1,3-thiazole-4-carboxamide
PubChem CID47028838
Molecular FormulaC11H16N4O3S
Molecular Weight284.34 g/mol
Exact Mass284.09
IUPAC Name2-acetamido-N-[2-oxo-2-(propylamino)ethyl]-1,3-thiazole-4-carboxamide
SMILESCCCNC(=O)CNC(=O)c1csc(NC(C)=O)n1
InChIInChI=1S/C11H16N4O3S/c1-3-4-12-9(17)5-13-10(18)8-6-19-11(15-8)14-7(2)16/h6H,3-5H2,1-2H3,(H,12,17)(H,13,18)(H,14,15,16)
InChIKeyPLDPRZXLMGIHPR-UHFFFAOYSA-N
XLogP0.36
TPSA100.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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CID 479277
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Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[2-oxo-2-(propylamino)ethyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-acetamido-N-[2-oxo-2-(propylamino)ethyl]-1,3-thiazole-4-carboxamide (CID 47028838) is 2-acetamido-N-[2-oxo-2-(propylamino)ethyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-acetamido-N-[2-oxo-2-(propylamino)ethyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-acetamido-N-[2-oxo-2-(propylamino)ethyl]-1,3-thiazole-4-carboxamide is CCCNC(=O)CNC(=O)c1csc(NC(C)=O)n1.
What is the InChIKey of 2-acetamido-N-[2-oxo-2-(propylamino)ethyl]-1,3-thiazole-4-carboxamide?
The InChIKey is PLDPRZXLMGIHPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3S/c1-3-4-12-9(17)5-13-10(18)8-6-19-11(15-8)14-7(2)16/h6H,3-5H2,1-2H3,(H,12,17)(H,13,18)(H,14,15,16).
What are the key properties of 2-acetamido-N-[2-oxo-2-(propylamino)ethyl]-1,3-thiazole-4-carboxamide?
2-acetamido-N-[2-oxo-2-(propylamino)ethyl]-1,3-thiazole-4-carboxamide has a molecular weight of 284.34 g/mol, XLogP of 0.36, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-[2-oxo-2-(propylamino)ethyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 47028838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).