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

C6H11N3OS — CID 43553827

IUPAC3-(4,5-dihydro-1,3-thiazol-2-ylamino)propanamide
SMILESNC(=O)CCNC1=NCCS1
InChIInChI=1S/C6H11N3OS/c7-5(10)1-2-8-6-9-3-4-11-6/h1-4H2,(H2,7,10)(H,8,9)
InChIKeyNRVYBNGYKDFZCJ-UHFFFAOYSA-N
MW173.24 g/mol
LogP-0.45
Rot. Bonds3

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

3-(4,5-dihydro-1,3-thiazol-2-ylamino)propanamide (PubChem CID 43553827) has the molecular formula C6H11N3OS and a molecular weight of 173.24 g/mol. Its IUPAC name is 3-(4,5-dihydro-1,3-thiazol-2-ylamino)propanamide.

Molecular Properties

Compound Name3-(4,5-dihydro-1,3-thiazol-2-ylamino)propanamide
PubChem CID43553827
Molecular FormulaC6H11N3OS
Molecular Weight173.24 g/mol
Exact Mass173.06
IUPAC Name3-(4,5-dihydro-1,3-thiazol-2-ylamino)propanamide
SMILESNC(=O)CCNC1=NCCS1
InChIInChI=1S/C6H11N3OS/c7-5(10)1-2-8-6-9-3-4-11-6/h1-4H2,(H2,7,10)(H,8,9)
InChIKeyNRVYBNGYKDFZCJ-UHFFFAOYSA-N
XLogP-0.45
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(4,5-dihydro-1,3-thiazol-2-ylamino)propanamide?
The IUPAC name of 3-(4,5-dihydro-1,3-thiazol-2-ylamino)propanamide (CID 43553827) is 3-(4,5-dihydro-1,3-thiazol-2-ylamino)propanamide.
What is the SMILES notation for 3-(4,5-dihydro-1,3-thiazol-2-ylamino)propanamide?
The canonical SMILES for 3-(4,5-dihydro-1,3-thiazol-2-ylamino)propanamide is NC(=O)CCNC1=NCCS1.
What is the InChIKey of 3-(4,5-dihydro-1,3-thiazol-2-ylamino)propanamide?
The InChIKey is NRVYBNGYKDFZCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3OS/c7-5(10)1-2-8-6-9-3-4-11-6/h1-4H2,(H2,7,10)(H,8,9).
What are the key properties of 3-(4,5-dihydro-1,3-thiazol-2-ylamino)propanamide?
3-(4,5-dihydro-1,3-thiazol-2-ylamino)propanamide has a molecular weight of 173.24 g/mol, XLogP of -0.45, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-dihydro-1,3-thiazol-2-ylamino)propanamide is sourced from PubChem (CID 43553827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).