5-hydroxy-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pentanamide

C9H14N2O3S — CID 106383571

IUPAC5-hydroxy-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pentanamide
SMILESO=C(CCCCO)NCc1csc(=O)[nH]1
InChIInChI=1S/C9H14N2O3S/c12-4-2-1-3-8(13)10-5-7-6-15-9(14)11-7/h6,12H,1-5H2,(H,10,13)(H,11,14)
InChIKeyKNTBCAYXRIFDRE-UHFFFAOYSA-N
MW230.29 g/mol
LogP0.22
Rot. Bonds6

About 5-hydroxy-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pentanamide

5-hydroxy-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pentanamide (PubChem CID 106383571) has the molecular formula C9H14N2O3S and a molecular weight of 230.29 g/mol. Its IUPAC name is 5-hydroxy-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pentanamide.

Molecular Properties

Compound Name5-hydroxy-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pentanamide
PubChem CID106383571
Molecular FormulaC9H14N2O3S
Molecular Weight230.29 g/mol
Exact Mass230.07
IUPAC Name5-hydroxy-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pentanamide
SMILESO=C(CCCCO)NCc1csc(=O)[nH]1
InChIInChI=1S/C9H14N2O3S/c12-4-2-1-3-8(13)10-5-7-6-15-9(14)11-7/h6,12H,1-5H2,(H,10,13)(H,11,14)
InChIKeyKNTBCAYXRIFDRE-UHFFFAOYSA-N
XLogP0.22
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 50.22
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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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pentanamide?
The IUPAC name of 5-hydroxy-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pentanamide (CID 106383571) is 5-hydroxy-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pentanamide.
What is the SMILES notation for 5-hydroxy-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pentanamide?
The canonical SMILES for 5-hydroxy-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pentanamide is O=C(CCCCO)NCc1csc(=O)[nH]1.
What is the InChIKey of 5-hydroxy-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pentanamide?
The InChIKey is KNTBCAYXRIFDRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3S/c12-4-2-1-3-8(13)10-5-7-6-15-9(14)11-7/h6,12H,1-5H2,(H,10,13)(H,11,14).
What are the key properties of 5-hydroxy-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pentanamide?
5-hydroxy-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pentanamide has a molecular weight of 230.29 g/mol, XLogP of 0.22, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pentanamide is sourced from PubChem (CID 106383571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).