N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-(oxolan-2-ylmethoxy)propanamide

C16H25N3O3S — CID 78875278

IUPACN-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-(oxolan-2-ylmethoxy)propanamide
SMILESCCN1CCc2nc(NC(=O)CCOCC3CCCO3)sc2C1
InChIInChI=1S/C16H25N3O3S/c1-2-19-7-5-13-14(10-19)23-16(17-13)18-15(20)6-9-21-11-12-4-3-8-22-12/h12H,2-11H2,1H3,(H,17,18,20)
InChIKeyVTIMLPYICJXXGQ-UHFFFAOYSA-N
MW339.46 g/mol
LogP2.05
Rot. Bonds7

About N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-(oxolan-2-ylmethoxy)propanamide

N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-(oxolan-2-ylmethoxy)propanamide (PubChem CID 78875278) has the molecular formula C16H25N3O3S and a molecular weight of 339.46 g/mol. Its IUPAC name is N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-(oxolan-2-ylmethoxy)propanamide.

Molecular Properties

Compound NameN-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-(oxolan-2-ylmethoxy)propanamide
PubChem CID78875278
Molecular FormulaC16H25N3O3S
Molecular Weight339.46 g/mol
Exact Mass339.16
IUPAC NameN-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-(oxolan-2-ylmethoxy)propanamide
SMILESCCN1CCc2nc(NC(=O)CCOCC3CCCO3)sc2C1
InChIInChI=1S/C16H25N3O3S/c1-2-19-7-5-13-14(10-19)23-16(17-13)18-15(20)6-9-21-11-12-4-3-8-22-12/h12H,2-11H2,1H3,(H,17,18,20)
InChIKeyVTIMLPYICJXXGQ-UHFFFAOYSA-N
XLogP2.05
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-(4-methoxyphenoxy)butanamide
CID 78772933
N-[5-[2-(ethylamino)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]oxolane-2-carboxamide
CID 90526234
N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)morpholine-2-carboxamide
CID 119828563
N-(4-benzyl-5-phenyl-1,3-thiazol-2-yl)-3-(oxolan-2-ylmethoxy)propanamide
CID 55721483
2-amino-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(oxan-4-yl)acetamide;dihydrochloride
CID 120796855
N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[(2-phenylacetyl)amino]propanamide
CID 29413491
2-(3,4-dichlorophenyl)-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide
CID 2467084
(2R)-2-amino-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)propanamide
CID 119828537
N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 29412625
N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-piperidin-3-ylbutanamide
CID 119828535
N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-propoxybenzamide
CID 2536195
2-(2,5-dimethoxyphenyl)-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide
CID 78804088

Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-(oxolan-2-ylmethoxy)propanamide?
The IUPAC name of N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-(oxolan-2-ylmethoxy)propanamide (CID 78875278) is N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-(oxolan-2-ylmethoxy)propanamide.
What is the SMILES notation for N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-(oxolan-2-ylmethoxy)propanamide?
The canonical SMILES for N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-(oxolan-2-ylmethoxy)propanamide is CCN1CCc2nc(NC(=O)CCOCC3CCCO3)sc2C1.
What is the InChIKey of N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-(oxolan-2-ylmethoxy)propanamide?
The InChIKey is VTIMLPYICJXXGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3S/c1-2-19-7-5-13-14(10-19)23-16(17-13)18-15(20)6-9-21-11-12-4-3-8-22-12/h12H,2-11H2,1H3,(H,17,18,20).
What are the key properties of N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-(oxolan-2-ylmethoxy)propanamide?
N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-(oxolan-2-ylmethoxy)propanamide has a molecular weight of 339.46 g/mol, XLogP of 2.05, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-(oxolan-2-ylmethoxy)propanamide is sourced from PubChem (CID 78875278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).