4-methyl-N-[2-oxo-2-(propylamino)ethyl]-1,3-thiazole-5-carboxamide

C10H15N3O2S — CID 47035721

IUPAC4-methyl-N-[2-oxo-2-(propylamino)ethyl]-1,3-thiazole-5-carboxamide
SMILESCCCNC(=O)CNC(=O)c1scnc1C
InChIInChI=1S/C10H15N3O2S/c1-3-4-11-8(14)5-12-10(15)9-7(2)13-6-16-9/h6H,3-5H2,1-2H3,(H,11,14)(H,12,15)
InChIKeyQIQCUVHCRJJNST-UHFFFAOYSA-N
MW241.32 g/mol
LogP0.71
Rot. Bonds5

About 4-methyl-N-[2-oxo-2-(propylamino)ethyl]-1,3-thiazole-5-carboxamide

4-methyl-N-[2-oxo-2-(propylamino)ethyl]-1,3-thiazole-5-carboxamide (PubChem CID 47035721) has the molecular formula C10H15N3O2S and a molecular weight of 241.32 g/mol. Its IUPAC name is 4-methyl-N-[2-oxo-2-(propylamino)ethyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[2-oxo-2-(propylamino)ethyl]-1,3-thiazole-5-carboxamide
PubChem CID47035721
Molecular FormulaC10H15N3O2S
Molecular Weight241.32 g/mol
Exact Mass241.09
IUPAC Name4-methyl-N-[2-oxo-2-(propylamino)ethyl]-1,3-thiazole-5-carboxamide
SMILESCCCNC(=O)CNC(=O)c1scnc1C
InChIInChI=1S/C10H15N3O2S/c1-3-4-11-8(14)5-12-10(15)9-7(2)13-6-16-9/h6H,3-5H2,1-2H3,(H,11,14)(H,12,15)
InChIKeyQIQCUVHCRJJNST-UHFFFAOYSA-N
XLogP0.71
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-oxo-2-(propylamino)ethyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-[2-oxo-2-(propylamino)ethyl]-1,3-thiazole-5-carboxamide (CID 47035721) is 4-methyl-N-[2-oxo-2-(propylamino)ethyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-[2-oxo-2-(propylamino)ethyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-[2-oxo-2-(propylamino)ethyl]-1,3-thiazole-5-carboxamide is CCCNC(=O)CNC(=O)c1scnc1C.
What is the InChIKey of 4-methyl-N-[2-oxo-2-(propylamino)ethyl]-1,3-thiazole-5-carboxamide?
The InChIKey is QIQCUVHCRJJNST-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2S/c1-3-4-11-8(14)5-12-10(15)9-7(2)13-6-16-9/h6H,3-5H2,1-2H3,(H,11,14)(H,12,15).
What are the key properties of 4-methyl-N-[2-oxo-2-(propylamino)ethyl]-1,3-thiazole-5-carboxamide?
4-methyl-N-[2-oxo-2-(propylamino)ethyl]-1,3-thiazole-5-carboxamide has a molecular weight of 241.32 g/mol, XLogP of 0.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-oxo-2-(propylamino)ethyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 47035721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).