N-[5-(5-phenyl-1,2-oxazole-3-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-2-carboxamide

C21H16N4O3S2 — CID 56765112

IUPACN-[5-(5-phenyl-1,2-oxazole-3-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-2-carboxamide
SMILESO=C(Nc1nc2c(s1)CN(C(=O)c1cc(-c3ccccc3)on1)CC2)c1cccs1
InChIInChI=1S/C21H16N4O3S2/c26-19(17-7-4-10-29-17)23-21-22-14-8-9-25(12-18(14)30-21)20(27)15-11-16(28-24-15)13-5-2-1-3-6-13/h1-7,10-11H,8-9,12H2,(H,22,23,26)
InChIKeyPKNHEEDPDUUZLR-UHFFFAOYSA-N
MW436.52 g/mol
LogP4.31
Rot. Bonds4

About N-[5-(5-phenyl-1,2-oxazole-3-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-2-carboxamide

N-[5-(5-phenyl-1,2-oxazole-3-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-2-carboxamide (PubChem CID 56765112) has the molecular formula C21H16N4O3S2 and a molecular weight of 436.52 g/mol. Its IUPAC name is N-[5-(5-phenyl-1,2-oxazole-3-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[5-(5-phenyl-1,2-oxazole-3-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-2-carboxamide
PubChem CID56765112
Molecular FormulaC21H16N4O3S2
Molecular Weight436.52 g/mol
Exact Mass436.07
IUPAC NameN-[5-(5-phenyl-1,2-oxazole-3-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-2-carboxamide
SMILESO=C(Nc1nc2c(s1)CN(C(=O)c1cc(-c3ccccc3)on1)CC2)c1cccs1
InChIInChI=1S/C21H16N4O3S2/c26-19(17-7-4-10-29-17)23-21-22-14-8-9-25(12-18(14)30-21)20(27)15-11-16(28-24-15)13-5-2-1-3-6-13/h1-7,10-11H,8-9,12H2,(H,22,23,26)
InChIKeyPKNHEEDPDUUZLR-UHFFFAOYSA-N
XLogP4.31
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.52
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-(5-phenyl-1,2-oxazole-3-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-[5-(5-phenyl-1,2-oxazole-3-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-2-carboxamide (CID 56765112) is N-[5-(5-phenyl-1,2-oxazole-3-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[5-(5-phenyl-1,2-oxazole-3-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[5-(5-phenyl-1,2-oxazole-3-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-2-carboxamide is O=C(Nc1nc2c(s1)CN(C(=O)c1cc(-c3ccccc3)on1)CC2)c1cccs1.
What is the InChIKey of N-[5-(5-phenyl-1,2-oxazole-3-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-2-carboxamide?
The InChIKey is PKNHEEDPDUUZLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4O3S2/c26-19(17-7-4-10-29-17)23-21-22-14-8-9-25(12-18(14)30-21)20(27)15-11-16(28-24-15)13-5-2-1-3-6-13/h1-7,10-11H,8-9,12H2,(H,22,23,26).
What are the key properties of N-[5-(5-phenyl-1,2-oxazole-3-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-2-carboxamide?
N-[5-(5-phenyl-1,2-oxazole-3-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-2-carboxamide has a molecular weight of 436.52 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(5-phenyl-1,2-oxazole-3-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 56765112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).