(2R)-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-5-methoxy-2-methylpentanamide

C13H20N2O3S — CID 99821031

IUPAC(2R)-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-5-methoxy-2-methylpentanamide
SMILESCOCCC[C@@H](C)C(=O)Nc1nc2c(s1)COCC2
InChIInChI=1S/C13H20N2O3S/c1-9(4-3-6-17-2)12(16)15-13-14-10-5-7-18-8-11(10)19-13/h9H,3-8H2,1-2H3,(H,14,15,16)/t9-/m1/s1
InChIKeyFBKGPXGXTKAYOH-SECBINFHSA-N
MW284.38 g/mol
LogP2.22
Rot. Bonds6

About (2R)-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-5-methoxy-2-methylpentanamide

(2R)-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-5-methoxy-2-methylpentanamide (PubChem CID 99821031) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is (2R)-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-5-methoxy-2-methylpentanamide.

Molecular Properties

Compound Name(2R)-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-5-methoxy-2-methylpentanamide
PubChem CID99821031
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name(2R)-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-5-methoxy-2-methylpentanamide
SMILESCOCCC[C@@H](C)C(=O)Nc1nc2c(s1)COCC2
InChIInChI=1S/C13H20N2O3S/c1-9(4-3-6-17-2)12(16)15-13-14-10-5-7-18-8-11(10)19-13/h9H,3-8H2,1-2H3,(H,14,15,16)/t9-/m1/s1
InChIKeyFBKGPXGXTKAYOH-SECBINFHSA-N
XLogP2.22
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 (2R)-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-5-methoxy-2-methylpentanamide?
The IUPAC name of (2R)-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-5-methoxy-2-methylpentanamide (CID 99821031) is (2R)-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-5-methoxy-2-methylpentanamide.
What is the SMILES notation for (2R)-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-5-methoxy-2-methylpentanamide?
The canonical SMILES for (2R)-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-5-methoxy-2-methylpentanamide is COCCC[C@@H](C)C(=O)Nc1nc2c(s1)COCC2.
What is the InChIKey of (2R)-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-5-methoxy-2-methylpentanamide?
The InChIKey is FBKGPXGXTKAYOH-SECBINFHSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-9(4-3-6-17-2)12(16)15-13-14-10-5-7-18-8-11(10)19-13/h9H,3-8H2,1-2H3,(H,14,15,16)/t9-/m1/s1.
What are the key properties of (2R)-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-5-methoxy-2-methylpentanamide?
(2R)-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-5-methoxy-2-methylpentanamide has a molecular weight of 284.38 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-5-methoxy-2-methylpentanamide is sourced from PubChem (CID 99821031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).