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

C19H20ClN3O3S — CID 90526267

IUPACN-[5-[2-(4-chlorophenyl)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]oxolane-2-carboxamide
SMILESO=C(CN1CCc2nc(NC(=O)C3CCCO3)sc2C1)c1ccc(Cl)cc1
InChIInChI=1S/C19H20ClN3O3S/c20-13-5-3-12(4-6-13)15(24)10-23-8-7-14-17(11-23)27-19(21-14)22-18(25)16-2-1-9-26-16/h3-6,16H,1-2,7-11H2,(H,21,22,25)
InChIKeyLJGISHYABJRLNP-UHFFFAOYSA-N
MW405.91 g/mol
LogP3.15
Rot. Bonds5

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

N-[5-[2-(4-chlorophenyl)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]oxolane-2-carboxamide (PubChem CID 90526267) has the molecular formula C19H20ClN3O3S and a molecular weight of 405.91 g/mol. Its IUPAC name is N-[5-[2-(4-chlorophenyl)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[5-[2-(4-chlorophenyl)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]oxolane-2-carboxamide
PubChem CID90526267
Molecular FormulaC19H20ClN3O3S
Molecular Weight405.91 g/mol
Exact Mass405.09
IUPAC NameN-[5-[2-(4-chlorophenyl)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]oxolane-2-carboxamide
SMILESO=C(CN1CCc2nc(NC(=O)C3CCCO3)sc2C1)c1ccc(Cl)cc1
InChIInChI=1S/C19H20ClN3O3S/c20-13-5-3-12(4-6-13)15(24)10-23-8-7-14-17(11-23)27-19(21-14)22-18(25)16-2-1-9-26-16/h3-6,16H,1-2,7-11H2,(H,21,22,25)
InChIKeyLJGISHYABJRLNP-UHFFFAOYSA-N
XLogP3.15
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.91
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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-(2-phenylethylamino)ethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]oxolane-2-carboxamide
CID 90526211
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-[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
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-(3-chlorobenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]oxolane-2-carboxamide
CID 90526005
N-[5-(4-fluorobenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]oxolane-2-carboxamide
CID 90526003
N-[5-(3,4-dimethylbenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]oxolane-2-carboxamide
CID 90525984
N-[5-(naphthalene-1-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]oxolane-2-carboxamide
CID 90526029
1-[5-[(4-chlorophenyl)methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-cyclopentylurea
CID 90529575
2-(oxolane-2-carbonylamino)-N-(2-phenylethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
CID 90526295

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(4-chlorophenyl)-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-(4-chlorophenyl)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]oxolane-2-carboxamide (CID 90526267) is N-[5-[2-(4-chlorophenyl)-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-(4-chlorophenyl)-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-(4-chlorophenyl)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]oxolane-2-carboxamide is O=C(CN1CCc2nc(NC(=O)C3CCCO3)sc2C1)c1ccc(Cl)cc1.
What is the InChIKey of N-[5-[2-(4-chlorophenyl)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]oxolane-2-carboxamide?
The InChIKey is LJGISHYABJRLNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O3S/c20-13-5-3-12(4-6-13)15(24)10-23-8-7-14-17(11-23)27-19(21-14)22-18(25)16-2-1-9-26-16/h3-6,16H,1-2,7-11H2,(H,21,22,25).
What are the key properties of N-[5-[2-(4-chlorophenyl)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]oxolane-2-carboxamide?
N-[5-[2-(4-chlorophenyl)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]oxolane-2-carboxamide has a molecular weight of 405.91 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(4-chlorophenyl)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]oxolane-2-carboxamide is sourced from PubChem (CID 90526267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).