3-[5-[3-[(7-chloro-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)amino]phenyl]-1,2-oxazol-3-yl]-3-hydroxy-1-methylpyrrolidin-2-one

C19H15ClN6O3S — CID 170350572

IUPAC3-[5-[3-[(7-chloro-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)amino]phenyl]-1,2-oxazol-3-yl]-3-hydroxy-1-methylpyrrolidin-2-one
SMILESCN1CCC(O)(c2cc(-c3cccc(Nc4nc5c(Cl)ncnc5s4)c3)on2)C1=O
InChIInChI=1S/C19H15ClN6O3S/c1-26-6-5-19(28,17(26)27)13-8-12(29-25-13)10-3-2-4-11(7-10)23-18-24-14-15(20)21-9-22-16(14)30-18/h2-4,7-9,28H,5-6H2,1H3,(H,23,24)
InChIKeyODNPQSCSFPHWQQ-UHFFFAOYSA-N
MW442.89 g/mol
LogP3.19
Rot. Bonds4

About 3-[5-[3-[(7-chloro-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)amino]phenyl]-1,2-oxazol-3-yl]-3-hydroxy-1-methylpyrrolidin-2-one

3-[5-[3-[(7-chloro-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)amino]phenyl]-1,2-oxazol-3-yl]-3-hydroxy-1-methylpyrrolidin-2-one (PubChem CID 170350572) has the molecular formula C19H15ClN6O3S and a molecular weight of 442.89 g/mol. Its IUPAC name is 3-[5-[3-[(7-chloro-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)amino]phenyl]-1,2-oxazol-3-yl]-3-hydroxy-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name3-[5-[3-[(7-chloro-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)amino]phenyl]-1,2-oxazol-3-yl]-3-hydroxy-1-methylpyrrolidin-2-one
PubChem CID170350572
Molecular FormulaC19H15ClN6O3S
Molecular Weight442.89 g/mol
Exact Mass442.06
IUPAC Name3-[5-[3-[(7-chloro-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)amino]phenyl]-1,2-oxazol-3-yl]-3-hydroxy-1-methylpyrrolidin-2-one
SMILESCN1CCC(O)(c2cc(-c3cccc(Nc4nc5c(Cl)ncnc5s4)c3)on2)C1=O
InChIInChI=1S/C19H15ClN6O3S/c1-26-6-5-19(28,17(26)27)13-8-12(29-25-13)10-3-2-4-11(7-10)23-18-24-14-15(20)21-9-22-16(14)30-18/h2-4,7-9,28H,5-6H2,1H3,(H,23,24)
InChIKeyODNPQSCSFPHWQQ-UHFFFAOYSA-N
XLogP3.19
TPSA117.27 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.89
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 3-[5-[3-[(7-chloro-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)amino]phenyl]-1,2-oxazol-3-yl]-3-hydroxy-1-methylpyrrolidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[5-[3-[(7-chloro-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)amino]phenyl]-1,2-oxazol-3-yl]-3-hydroxy-1-methylpyrrolidin-2-one?
The IUPAC name of 3-[5-[3-[(7-chloro-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)amino]phenyl]-1,2-oxazol-3-yl]-3-hydroxy-1-methylpyrrolidin-2-one (CID 170350572) is 3-[5-[3-[(7-chloro-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)amino]phenyl]-1,2-oxazol-3-yl]-3-hydroxy-1-methylpyrrolidin-2-one.
What is the SMILES notation for 3-[5-[3-[(7-chloro-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)amino]phenyl]-1,2-oxazol-3-yl]-3-hydroxy-1-methylpyrrolidin-2-one?
The canonical SMILES for 3-[5-[3-[(7-chloro-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)amino]phenyl]-1,2-oxazol-3-yl]-3-hydroxy-1-methylpyrrolidin-2-one is CN1CCC(O)(c2cc(-c3cccc(Nc4nc5c(Cl)ncnc5s4)c3)on2)C1=O.
What is the InChIKey of 3-[5-[3-[(7-chloro-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)amino]phenyl]-1,2-oxazol-3-yl]-3-hydroxy-1-methylpyrrolidin-2-one?
The InChIKey is ODNPQSCSFPHWQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN6O3S/c1-26-6-5-19(28,17(26)27)13-8-12(29-25-13)10-3-2-4-11(7-10)23-18-24-14-15(20)21-9-22-16(14)30-18/h2-4,7-9,28H,5-6H2,1H3,(H,23,24).
What are the key properties of 3-[5-[3-[(7-chloro-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)amino]phenyl]-1,2-oxazol-3-yl]-3-hydroxy-1-methylpyrrolidin-2-one?
3-[5-[3-[(7-chloro-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)amino]phenyl]-1,2-oxazol-3-yl]-3-hydroxy-1-methylpyrrolidin-2-one has a molecular weight of 442.89 g/mol, XLogP of 3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[3-[(7-chloro-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)amino]phenyl]-1,2-oxazol-3-yl]-3-hydroxy-1-methylpyrrolidin-2-one is sourced from PubChem (CID 170350572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).