N-(5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazol-2-yl)-4-phenoxybutanamide

C15H17N3O2S — CID 82194064

IUPACN-(5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazol-2-yl)-4-phenoxybutanamide
SMILESO=C(CCCOc1ccccc1)Nc1nc2c(s1)CNC2
InChIInChI=1S/C15H17N3O2S/c19-14(7-4-8-20-11-5-2-1-3-6-11)18-15-17-12-9-16-10-13(12)21-15/h1-3,5-6,16H,4,7-10H2,(H,17,18,19)
InChIKeyVJOVXLSKLJHYMC-UHFFFAOYSA-N
MW303.39 g/mol
LogP2.54
Rot. Bonds6

About N-(5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazol-2-yl)-4-phenoxybutanamide

N-(5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazol-2-yl)-4-phenoxybutanamide (PubChem CID 82194064) has the molecular formula C15H17N3O2S and a molecular weight of 303.39 g/mol. Its IUPAC name is N-(5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazol-2-yl)-4-phenoxybutanamide.

Molecular Properties

Compound NameN-(5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazol-2-yl)-4-phenoxybutanamide
PubChem CID82194064
Molecular FormulaC15H17N3O2S
Molecular Weight303.39 g/mol
Exact Mass303.10
IUPAC NameN-(5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazol-2-yl)-4-phenoxybutanamide
SMILESO=C(CCCOc1ccccc1)Nc1nc2c(s1)CNC2
InChIInChI=1S/C15H17N3O2S/c19-14(7-4-8-20-11-5-2-1-3-6-11)18-15-17-12-9-16-10-13(12)21-15/h1-3,5-6,16H,4,7-10H2,(H,17,18,19)
InChIKeyVJOVXLSKLJHYMC-UHFFFAOYSA-N
XLogP2.54
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazol-2-yl)butanamide
CID 82194095
1-(5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazol-2-yl)-3-phenylurea
CID 82194100
4-phenoxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)butanamide
CID 33004637
N-(5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazol-2-yl)pyridine-2-carboxamide
CID 82194079
N-(4H-indeno[1,2-d][1,3]thiazol-2-yl)-3-phenoxypropanamide
CID 5093075
N-[5-(aminomethyl)-1,3,4-thiadiazol-2-yl]-4-phenoxybutanamide
CID 82176268
N-(5-benzoyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-(4-chlorophenoxy)butanamide
CID 108749966
(5R)-7-oxo-2-(3-phenoxypropanoylamino)-5,6-dihydro-4H-1,3-benzothiazole-5-carboxylic acid
CID 125176155
N-[5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-yl]-4-phenoxybutanamide
CID 108750995
N-(5-benzoyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-naphthalen-2-yloxybutanamide
CID 108749961
3-methoxy-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)propanamide
CID 62590605
N-(5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazol-2-yl)-2-fluorobenzamide
CID 82194073

Frequently Asked Questions

What is the IUPAC name of N-(5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazol-2-yl)-4-phenoxybutanamide?
The IUPAC name of N-(5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazol-2-yl)-4-phenoxybutanamide (CID 82194064) is N-(5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazol-2-yl)-4-phenoxybutanamide.
What is the SMILES notation for N-(5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazol-2-yl)-4-phenoxybutanamide?
The canonical SMILES for N-(5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazol-2-yl)-4-phenoxybutanamide is O=C(CCCOc1ccccc1)Nc1nc2c(s1)CNC2.
What is the InChIKey of N-(5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazol-2-yl)-4-phenoxybutanamide?
The InChIKey is VJOVXLSKLJHYMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2S/c19-14(7-4-8-20-11-5-2-1-3-6-11)18-15-17-12-9-16-10-13(12)21-15/h1-3,5-6,16H,4,7-10H2,(H,17,18,19).
What are the key properties of N-(5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazol-2-yl)-4-phenoxybutanamide?
N-(5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazol-2-yl)-4-phenoxybutanamide has a molecular weight of 303.39 g/mol, XLogP of 2.54, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazol-2-yl)-4-phenoxybutanamide is sourced from PubChem (CID 82194064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).