3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanamide

C7H11N3O2S — CID 106380776

IUPAC3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanamide
SMILESNC(=O)CCNCc1csc(=O)[nH]1
InChIInChI=1S/C7H11N3O2S/c8-6(11)1-2-9-3-5-4-13-7(12)10-5/h4,9H,1-3H2,(H2,8,11)(H,10,12)
InChIKeyZJLHAKSLOJRDAZ-UHFFFAOYSA-N
MW201.25 g/mol
LogP-0.60
Rot. Bonds5

About 3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanamide

3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanamide (PubChem CID 106380776) has the molecular formula C7H11N3O2S and a molecular weight of 201.25 g/mol. Its IUPAC name is 3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanamide.

Molecular Properties

Compound Name3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanamide
PubChem CID106380776
Molecular FormulaC7H11N3O2S
Molecular Weight201.25 g/mol
Exact Mass201.06
IUPAC Name3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanamide
SMILESNC(=O)CCNCc1csc(=O)[nH]1
InChIInChI=1S/C7H11N3O2S/c8-6(11)1-2-9-3-5-4-13-7(12)10-5/h4,9H,1-3H2,(H2,8,11)(H,10,12)
InChIKeyZJLHAKSLOJRDAZ-UHFFFAOYSA-N
XLogP-0.60
TPSA87.98 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.25
LogP ≤ 5-0.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,2,3,3-tetrafluoro-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propanamide
CID 106383573
2,2,3,3,3-pentafluoro-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propanamide
CID 106383582
N-(2,3-dihydro-1,3-thiazol-4-ylmethyl)-N-methylpropanamide
CID 129309953
3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-propan-2-ylpropanamide
CID 29198709
2-methyl-N-[2-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoylamino]ethyl]propanamide
CID 31012397
3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[2-oxo-2-(propylamino)ethyl]propanamide
CID 35353647
N-[2-[di(propan-2-yl)amino]ethyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
CID 39467035
N-ethyl-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
CID 47116325
4-Methyl-3-(3-oxo-3-piperazin-1-ylpropyl)-1,3-thiazol-2-one
CID 55069105
3-(4-Methyl-2-oxo-1,3-thiazol-3-yl)propanamide
CID 60669041
4-(propylaminomethyl)-3H-1,3-thiazol-2-one
CID 81463456
2-Amino-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
CID 81941254

Frequently Asked Questions

What is the IUPAC name of 3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanamide?
The IUPAC name of 3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanamide (CID 106380776) is 3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanamide.
What is the SMILES notation for 3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanamide?
The canonical SMILES for 3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanamide is NC(=O)CCNCc1csc(=O)[nH]1.
What is the InChIKey of 3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanamide?
The InChIKey is ZJLHAKSLOJRDAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2S/c8-6(11)1-2-9-3-5-4-13-7(12)10-5/h4,9H,1-3H2,(H2,8,11)(H,10,12).
What are the key properties of 3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanamide?
3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanamide has a molecular weight of 201.25 g/mol, XLogP of -0.60, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanamide is sourced from PubChem (CID 106380776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).