3-(2-oxo-1,3-thiazol-3-yl)propanamide

C6H8N2O2S — CID 63312757

IUPAC3-(2-oxo-1,3-thiazol-3-yl)propanamide
SMILESNC(=O)CCn1ccsc1=O
InChIInChI=1S/C6H8N2O2S/c7-5(9)1-2-8-3-4-11-6(8)10/h3-4H,1-2H2,(H2,7,9)
InChIKeyCXYROUWLVQPFMH-UHFFFAOYSA-N
MW172.21 g/mol
LogP-0.21
Rot. Bonds3

About 3-(2-oxo-1,3-thiazol-3-yl)propanamide

3-(2-oxo-1,3-thiazol-3-yl)propanamide (PubChem CID 63312757) has the molecular formula C6H8N2O2S and a molecular weight of 172.21 g/mol. Its IUPAC name is 3-(2-oxo-1,3-thiazol-3-yl)propanamide.

Molecular Properties

Compound Name3-(2-oxo-1,3-thiazol-3-yl)propanamide
PubChem CID63312757
Molecular FormulaC6H8N2O2S
Molecular Weight172.21 g/mol
Exact Mass172.03
IUPAC Name3-(2-oxo-1,3-thiazol-3-yl)propanamide
SMILESNC(=O)CCn1ccsc1=O
InChIInChI=1S/C6H8N2O2S/c7-5(9)1-2-8-3-4-11-6(8)10/h3-4H,1-2H2,(H2,7,9)
InChIKeyCXYROUWLVQPFMH-UHFFFAOYSA-N
XLogP-0.21
TPSA65.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.21
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-oxo-1,3-thiazol-3-yl)propanamide?
The IUPAC name of 3-(2-oxo-1,3-thiazol-3-yl)propanamide (CID 63312757) is 3-(2-oxo-1,3-thiazol-3-yl)propanamide.
What is the SMILES notation for 3-(2-oxo-1,3-thiazol-3-yl)propanamide?
The canonical SMILES for 3-(2-oxo-1,3-thiazol-3-yl)propanamide is NC(=O)CCn1ccsc1=O.
What is the InChIKey of 3-(2-oxo-1,3-thiazol-3-yl)propanamide?
The InChIKey is CXYROUWLVQPFMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2S/c7-5(9)1-2-8-3-4-11-6(8)10/h3-4H,1-2H2,(H2,7,9).
What are the key properties of 3-(2-oxo-1,3-thiazol-3-yl)propanamide?
3-(2-oxo-1,3-thiazol-3-yl)propanamide has a molecular weight of 172.21 g/mol, XLogP of -0.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxo-1,3-thiazol-3-yl)propanamide is sourced from PubChem (CID 63312757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).