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N-(2-chloro-4-fluorophenyl)-2-(2-morpholin-4-yl-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-6-yl)acetamide

C17H15ClFN5O3S — CID 50784970

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-(2-chloro-4-fluorophenyl)-2-(2-morpholin-4-yl-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-6-yl)acetamide
SMILESO=C(Cn1cnc2nc(N3CCOCC3)sc2c1=O)Nc1ccc(F)cc1Cl
InChIInChI=1S/C17H15ClFN5O3S/c18-11-7-10(19)1-2-12(11)21-13(25)8-24-9-20-15-14(16(24)26)28-17(22-15)23-3-5-27-6-4-23/h1-2,7,9H,3-6,8H2,(H,21,25)
InChIKeyQPBCGCCHZKRCAF-UHFFFAOYSA-N
MW423.86 g/mol
LogP2.12
Rot. Bonds4

About N-(2-chloro-4-fluorophenyl)-2-(2-morpholin-4-yl-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-6-yl)acetamide

N-(2-chloro-4-fluorophenyl)-2-(2-morpholin-4-yl-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-6-yl)acetamide (PubChem CID 50784970) has the molecular formula C17H15ClFN5O3S and a molecular weight of 423.86 g/mol. Its IUPAC name is N-(2-chloro-4-fluorophenyl)-2-(2-morpholin-4-yl-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-6-yl)acetamide.

Molecular Properties

Compound NameN-(2-chloro-4-fluorophenyl)-2-(2-morpholin-4-yl-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-6-yl)acetamide
PubChem CID50784970
Molecular FormulaC17H15ClFN5O3S
Molecular Weight423.86 g/mol
Exact Mass423.06
IUPAC NameN-(2-chloro-4-fluorophenyl)-2-(2-morpholin-4-yl-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-6-yl)acetamide
SMILESO=C(Cn1cnc2nc(N3CCOCC3)sc2c1=O)Nc1ccc(F)cc1Cl
InChIInChI=1S/C17H15ClFN5O3S/c18-11-7-10(19)1-2-12(11)21-13(25)8-24-9-20-15-14(16(24)26)28-17(22-15)23-3-5-27-6-4-23/h1-2,7,9H,3-6,8H2,(H,21,25)
InChIKeyQPBCGCCHZKRCAF-UHFFFAOYSA-N
XLogP2.12
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.86
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-fluorophenyl)-2-(2-morpholin-4-yl-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-6-yl)acetamide?
The IUPAC name of N-(2-chloro-4-fluorophenyl)-2-(2-morpholin-4-yl-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-6-yl)acetamide (CID 50784970) is N-(2-chloro-4-fluorophenyl)-2-(2-morpholin-4-yl-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-6-yl)acetamide.
What is the SMILES notation for N-(2-chloro-4-fluorophenyl)-2-(2-morpholin-4-yl-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-6-yl)acetamide?
The canonical SMILES for N-(2-chloro-4-fluorophenyl)-2-(2-morpholin-4-yl-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-6-yl)acetamide is O=C(Cn1cnc2nc(N3CCOCC3)sc2c1=O)Nc1ccc(F)cc1Cl.
What is the InChIKey of N-(2-chloro-4-fluorophenyl)-2-(2-morpholin-4-yl-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-6-yl)acetamide?
The InChIKey is QPBCGCCHZKRCAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClFN5O3S/c18-11-7-10(19)1-2-12(11)21-13(25)8-24-9-20-15-14(16(24)26)28-17(22-15)23-3-5-27-6-4-23/h1-2,7,9H,3-6,8H2,(H,21,25).
What are the key properties of N-(2-chloro-4-fluorophenyl)-2-(2-morpholin-4-yl-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-6-yl)acetamide?
N-(2-chloro-4-fluorophenyl)-2-(2-morpholin-4-yl-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-6-yl)acetamide has a molecular weight of 423.86 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-fluorophenyl)-2-(2-morpholin-4-yl-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-6-yl)acetamide is sourced from PubChem (CID 50784970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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