2-(4,5-dihydro-1,3-thiazol-2-ylamino)propanamide

C6H11N3OS — CID 43545742

IUPAC2-(4,5-dihydro-1,3-thiazol-2-ylamino)propanamide
SMILESCC(NC1=NCCS1)C(N)=O
InChIInChI=1S/C6H11N3OS/c1-4(5(7)10)9-6-8-2-3-11-6/h4H,2-3H2,1H3,(H2,7,10)(H,8,9)
InChIKeyJEHYGGNGGGOZTK-UHFFFAOYSA-N
MW173.24 g/mol
LogP-0.45
Rot. Bonds2

About 2-(4,5-dihydro-1,3-thiazol-2-ylamino)propanamide

2-(4,5-dihydro-1,3-thiazol-2-ylamino)propanamide (PubChem CID 43545742) has the molecular formula C6H11N3OS and a molecular weight of 173.24 g/mol. Its IUPAC name is 2-(4,5-dihydro-1,3-thiazol-2-ylamino)propanamide.

Molecular Properties

Compound Name2-(4,5-dihydro-1,3-thiazol-2-ylamino)propanamide
PubChem CID43545742
Molecular FormulaC6H11N3OS
Molecular Weight173.24 g/mol
Exact Mass173.06
IUPAC Name2-(4,5-dihydro-1,3-thiazol-2-ylamino)propanamide
SMILESCC(NC1=NCCS1)C(N)=O
InChIInChI=1S/C6H11N3OS/c1-4(5(7)10)9-6-8-2-3-11-6/h4H,2-3H2,1H3,(H2,7,10)(H,8,9)
InChIKeyJEHYGGNGGGOZTK-UHFFFAOYSA-N
XLogP-0.45
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.24
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dihydro-1,3-thiazol-2-ylamino)propanamide?
The IUPAC name of 2-(4,5-dihydro-1,3-thiazol-2-ylamino)propanamide (CID 43545742) is 2-(4,5-dihydro-1,3-thiazol-2-ylamino)propanamide.
What is the SMILES notation for 2-(4,5-dihydro-1,3-thiazol-2-ylamino)propanamide?
The canonical SMILES for 2-(4,5-dihydro-1,3-thiazol-2-ylamino)propanamide is CC(NC1=NCCS1)C(N)=O.
What is the InChIKey of 2-(4,5-dihydro-1,3-thiazol-2-ylamino)propanamide?
The InChIKey is JEHYGGNGGGOZTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3OS/c1-4(5(7)10)9-6-8-2-3-11-6/h4H,2-3H2,1H3,(H2,7,10)(H,8,9).
What are the key properties of 2-(4,5-dihydro-1,3-thiazol-2-ylamino)propanamide?
2-(4,5-dihydro-1,3-thiazol-2-ylamino)propanamide has a molecular weight of 173.24 g/mol, XLogP of -0.45, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dihydro-1,3-thiazol-2-ylamino)propanamide is sourced from PubChem (CID 43545742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).