N-[5-(2-methoxyethoxy)-2,3-dihydro-1H-inden-1-yl]-3-oxo-[1,2]thiazolo[5,4-b]pyridine-2-carboxamide

C19H19N3O4S — CID 54770855

IUPACN-[5-(2-methoxyethoxy)-2,3-dihydro-1H-inden-1-yl]-3-oxo-[1,2]thiazolo[5,4-b]pyridine-2-carboxamide
SMILESCOCCOc1ccc2c(c1)CCC2NC(=O)n1sc2ncccc2c1=O
InChIInChI=1S/C19H19N3O4S/c1-25-9-10-26-13-5-6-14-12(11-13)4-7-16(14)21-19(24)22-18(23)15-3-2-8-20-17(15)27-22/h2-3,5-6,8,11,16H,4,7,9-10H2,1H3,(H,21,24)
InChIKeyXAVSLDRRMBFTHI-UHFFFAOYSA-N
MW385.45 g/mol
LogP2.73
Rot. Bonds5

About N-[5-(2-methoxyethoxy)-2,3-dihydro-1H-inden-1-yl]-3-oxo-[1,2]thiazolo[5,4-b]pyridine-2-carboxamide

N-[5-(2-methoxyethoxy)-2,3-dihydro-1H-inden-1-yl]-3-oxo-[1,2]thiazolo[5,4-b]pyridine-2-carboxamide (PubChem CID 54770855) has the molecular formula C19H19N3O4S and a molecular weight of 385.45 g/mol. Its IUPAC name is N-[5-(2-methoxyethoxy)-2,3-dihydro-1H-inden-1-yl]-3-oxo-[1,2]thiazolo[5,4-b]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[5-(2-methoxyethoxy)-2,3-dihydro-1H-inden-1-yl]-3-oxo-[1,2]thiazolo[5,4-b]pyridine-2-carboxamide
PubChem CID54770855
Molecular FormulaC19H19N3O4S
Molecular Weight385.45 g/mol
Exact Mass385.11
IUPAC NameN-[5-(2-methoxyethoxy)-2,3-dihydro-1H-inden-1-yl]-3-oxo-[1,2]thiazolo[5,4-b]pyridine-2-carboxamide
SMILESCOCCOc1ccc2c(c1)CCC2NC(=O)n1sc2ncccc2c1=O
InChIInChI=1S/C19H19N3O4S/c1-25-9-10-26-13-5-6-14-12(11-13)4-7-16(14)21-19(24)22-18(23)15-3-2-8-20-17(15)27-22/h2-3,5-6,8,11,16H,4,7,9-10H2,1H3,(H,21,24)
InChIKeyXAVSLDRRMBFTHI-UHFFFAOYSA-N
XLogP2.73
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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 N-[5-(2-methoxyethoxy)-2,3-dihydro-1H-inden-1-yl]-3-oxo-[1,2]thiazolo[5,4-b]pyridine-2-carboxamide?
The IUPAC name of N-[5-(2-methoxyethoxy)-2,3-dihydro-1H-inden-1-yl]-3-oxo-[1,2]thiazolo[5,4-b]pyridine-2-carboxamide (CID 54770855) is N-[5-(2-methoxyethoxy)-2,3-dihydro-1H-inden-1-yl]-3-oxo-[1,2]thiazolo[5,4-b]pyridine-2-carboxamide.
What is the SMILES notation for N-[5-(2-methoxyethoxy)-2,3-dihydro-1H-inden-1-yl]-3-oxo-[1,2]thiazolo[5,4-b]pyridine-2-carboxamide?
The canonical SMILES for N-[5-(2-methoxyethoxy)-2,3-dihydro-1H-inden-1-yl]-3-oxo-[1,2]thiazolo[5,4-b]pyridine-2-carboxamide is COCCOc1ccc2c(c1)CCC2NC(=O)n1sc2ncccc2c1=O.
What is the InChIKey of N-[5-(2-methoxyethoxy)-2,3-dihydro-1H-inden-1-yl]-3-oxo-[1,2]thiazolo[5,4-b]pyridine-2-carboxamide?
The InChIKey is XAVSLDRRMBFTHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4S/c1-25-9-10-26-13-5-6-14-12(11-13)4-7-16(14)21-19(24)22-18(23)15-3-2-8-20-17(15)27-22/h2-3,5-6,8,11,16H,4,7,9-10H2,1H3,(H,21,24).
What are the key properties of N-[5-(2-methoxyethoxy)-2,3-dihydro-1H-inden-1-yl]-3-oxo-[1,2]thiazolo[5,4-b]pyridine-2-carboxamide?
N-[5-(2-methoxyethoxy)-2,3-dihydro-1H-inden-1-yl]-3-oxo-[1,2]thiazolo[5,4-b]pyridine-2-carboxamide has a molecular weight of 385.45 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-methoxyethoxy)-2,3-dihydro-1H-inden-1-yl]-3-oxo-[1,2]thiazolo[5,4-b]pyridine-2-carboxamide is sourced from PubChem (CID 54770855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).