N-ethyl-N-(1,3-thiazol-2-yl)propanamide

C8H12N2OS — CID 67209449

IUPACN-ethyl-N-(1,3-thiazol-2-yl)propanamide
SMILESCCC(=O)N(CC)c1nccs1
InChIInChI=1S/C8H12N2OS/c1-3-7(11)10(4-2)8-9-5-6-12-8/h5-6H,3-4H2,1-2H3
InChIKeyRTUYUQALPNNRFT-UHFFFAOYSA-N
MW184.26 g/mol
LogP1.91
Rot. Bonds3

About N-ethyl-N-(1,3-thiazol-2-yl)propanamide

N-ethyl-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 67209449) has the molecular formula C8H12N2OS and a molecular weight of 184.26 g/mol. Its IUPAC name is N-ethyl-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound NameN-ethyl-N-(1,3-thiazol-2-yl)propanamide
PubChem CID67209449
Molecular FormulaC8H12N2OS
Molecular Weight184.26 g/mol
Exact Mass184.07
IUPAC NameN-ethyl-N-(1,3-thiazol-2-yl)propanamide
SMILESCCC(=O)N(CC)c1nccs1
InChIInChI=1S/C8H12N2OS/c1-3-7(11)10(4-2)8-9-5-6-12-8/h5-6H,3-4H2,1-2H3
InChIKeyRTUYUQALPNNRFT-UHFFFAOYSA-N
XLogP1.91
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of N-ethyl-N-(1,3-thiazol-2-yl)propanamide (CID 67209449) is N-ethyl-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for N-ethyl-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for N-ethyl-N-(1,3-thiazol-2-yl)propanamide is CCC(=O)N(CC)c1nccs1.
What is the InChIKey of N-ethyl-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is RTUYUQALPNNRFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2OS/c1-3-7(11)10(4-2)8-9-5-6-12-8/h5-6H,3-4H2,1-2H3.
What are the key properties of N-ethyl-N-(1,3-thiazol-2-yl)propanamide?
N-ethyl-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 184.26 g/mol, XLogP of 1.91, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 67209449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).