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

C19H25N3O3S — CID 78772933

IUPACN-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-(4-methoxyphenoxy)butanamide
SMILESCCN1CCc2nc(NC(=O)CCCOc3ccc(OC)cc3)sc2C1
InChIInChI=1S/C19H25N3O3S/c1-3-22-11-10-16-17(13-22)26-19(20-16)21-18(23)5-4-12-25-15-8-6-14(24-2)7-9-15/h6-9H,3-5,10-13H2,1-2H3,(H,20,21,23)
InChIKeyWRBGFXKJCSNLFG-UHFFFAOYSA-N
MW375.49 g/mol
LogP3.33
Rot. Bonds8

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

N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-(4-methoxyphenoxy)butanamide (PubChem CID 78772933) has the molecular formula C19H25N3O3S and a molecular weight of 375.49 g/mol. Its IUPAC name is N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-(4-methoxyphenoxy)butanamide.

Molecular Properties

Compound NameN-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-(4-methoxyphenoxy)butanamide
PubChem CID78772933
Molecular FormulaC19H25N3O3S
Molecular Weight375.49 g/mol
Exact Mass375.16
IUPAC NameN-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-(4-methoxyphenoxy)butanamide
SMILESCCN1CCc2nc(NC(=O)CCCOc3ccc(OC)cc3)sc2C1
InChIInChI=1S/C19H25N3O3S/c1-3-22-11-10-16-17(13-22)26-19(20-16)21-18(23)5-4-12-25-15-8-6-14(24-2)7-9-15/h6-9H,3-5,10-13H2,1-2H3,(H,20,21,23)
InChIKeyWRBGFXKJCSNLFG-UHFFFAOYSA-N
XLogP3.33
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 53.33
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-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
(E)-3-(4-ethoxyphenyl)-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)prop-2-enamide
CID 78772916
N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-(4-methylphenyl)propanamide
CID 29413371
2-(4-methoxyphenyl)sulfanyl-N-(5-propyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide
CID 44976429
N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[(2-phenylacetyl)amino]propanamide
CID 29413491
4-(4-tert-butylphenoxy)-N-[5-(3-methylbutanoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]butanamide
CID 108749839
N-(5-benzoyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-(4-chlorophenoxy)butanamide
CID 108749966
N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-(1H-indol-3-yl)butanamide
CID 46525596
N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(2-oxochromen-7-yl)oxyacetamide
CID 29412525
2-(3,4-dichlorophenyl)-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide
CID 2467084
N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(4-phenylphenyl)acetamide
CID 29412794

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)-4-(4-methoxyphenoxy)butanamide?
The IUPAC name of N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-(4-methoxyphenoxy)butanamide (CID 78772933) is N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-(4-methoxyphenoxy)butanamide.
What is the SMILES notation for N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-(4-methoxyphenoxy)butanamide?
The canonical SMILES for N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-(4-methoxyphenoxy)butanamide is CCN1CCc2nc(NC(=O)CCCOc3ccc(OC)cc3)sc2C1.
What is the InChIKey of N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-(4-methoxyphenoxy)butanamide?
The InChIKey is WRBGFXKJCSNLFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3S/c1-3-22-11-10-16-17(13-22)26-19(20-16)21-18(23)5-4-12-25-15-8-6-14(24-2)7-9-15/h6-9H,3-5,10-13H2,1-2H3,(H,20,21,23).
What are the key properties of N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-(4-methoxyphenoxy)butanamide?
N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-(4-methoxyphenoxy)butanamide has a molecular weight of 375.49 g/mol, XLogP of 3.33, 8 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)-4-(4-methoxyphenoxy)butanamide is sourced from PubChem (CID 78772933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).