N-[5-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]oxolane-2-carboxamide

C21H24N4O3S — CID 90526155

IUPACN-[5-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]oxolane-2-carboxamide
SMILESO=C(Nc1nc2c(s1)CN(CC(=O)N1CCc3ccccc31)CC2)C1CCCO1
InChIInChI=1S/C21H24N4O3S/c26-19(25-10-7-14-4-1-2-5-16(14)25)13-24-9-8-15-18(12-24)29-21(22-15)23-20(27)17-6-3-11-28-17/h1-2,4-5,17H,3,6-13H2,(H,22,23,27)
InChIKeyURLODHORNMIBMX-UHFFFAOYSA-N
MW412.52 g/mol
LogP2.21
Rot. Bonds4

About N-[5-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]oxolane-2-carboxamide

N-[5-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]oxolane-2-carboxamide (PubChem CID 90526155) has the molecular formula C21H24N4O3S and a molecular weight of 412.52 g/mol. Its IUPAC name is N-[5-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[5-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]oxolane-2-carboxamide
PubChem CID90526155
Molecular FormulaC21H24N4O3S
Molecular Weight412.52 g/mol
Exact Mass412.16
IUPAC NameN-[5-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]oxolane-2-carboxamide
SMILESO=C(Nc1nc2c(s1)CN(CC(=O)N1CCc3ccccc31)CC2)C1CCCO1
InChIInChI=1S/C21H24N4O3S/c26-19(25-10-7-14-4-1-2-5-16(14)25)13-24-9-8-15-18(12-24)29-21(22-15)23-20(27)17-6-3-11-28-17/h1-2,4-5,17H,3,6-13H2,(H,22,23,27)
InChIKeyURLODHORNMIBMX-UHFFFAOYSA-N
XLogP2.21
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.52
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[5-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]oxolane-2-carboxamide with MolForge

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Related Compounds

N-[5-[2-(4-chlorophenyl)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]oxolane-2-carboxamide
CID 90526267
N-[5-[2-oxo-2-(2-phenylethylamino)ethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]oxolane-2-carboxamide
CID 90526211
N-[5-(pyridin-2-ylmethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]oxolane-2-carboxamide
CID 90526258
N-[5-[(2-methylphenyl)methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]oxolane-2-carboxamide
CID 90526240
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-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]oxolane-2-carboxamide
CID 90526215
N-[5-(naphthalene-1-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]oxolane-2-carboxamide
CID 90526029
2-(oxolane-2-carbonylamino)-N-(2-phenylethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
CID 90526295
N-[5-(2-bromobenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]oxolane-2-carboxamide
CID 90526007
N-[5-[2-(2-fluorophenoxy)acetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]oxolane-2-carboxamide
CID 90526050
2-(oxolane-2-carbonylamino)-N-(3-phenylpropyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
CID 90526316
N-cyclohexyl-2-(oxolane-2-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
CID 90526278

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]oxolane-2-carboxamide?
The IUPAC name of N-[5-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]oxolane-2-carboxamide (CID 90526155) is N-[5-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]oxolane-2-carboxamide.
What is the SMILES notation for N-[5-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]oxolane-2-carboxamide?
The canonical SMILES for N-[5-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]oxolane-2-carboxamide is O=C(Nc1nc2c(s1)CN(CC(=O)N1CCc3ccccc31)CC2)C1CCCO1.
What is the InChIKey of N-[5-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]oxolane-2-carboxamide?
The InChIKey is URLODHORNMIBMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3S/c26-19(25-10-7-14-4-1-2-5-16(14)25)13-24-9-8-15-18(12-24)29-21(22-15)23-20(27)17-6-3-11-28-17/h1-2,4-5,17H,3,6-13H2,(H,22,23,27).
What are the key properties of N-[5-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]oxolane-2-carboxamide?
N-[5-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]oxolane-2-carboxamide has a molecular weight of 412.52 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]oxolane-2-carboxamide is sourced from PubChem (CID 90526155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).