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

C19H13ClN4O2S — CID 50841692

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

IUPACN-(3-chlorophenyl)-2-(7-oxo-3-phenyl-[1,2]thiazolo[4,5-d]pyrimidin-6-yl)acetamide
SMILESO=C(Cn1cnc2c(-c3ccccc3)nsc2c1=O)Nc1cccc(Cl)c1
InChIInChI=1S/C19H13ClN4O2S/c20-13-7-4-8-14(9-13)22-15(25)10-24-11-21-17-16(12-5-2-1-3-6-12)23-27-18(17)19(24)26/h1-9,11H,10H2,(H,22,25)
InChIKeyWKDONPRWILFWGA-UHFFFAOYSA-N
MW396.86 g/mol
LogP3.81
Rot. Bonds4

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

N-(3-chlorophenyl)-2-(7-oxo-3-phenyl-[1,2]thiazolo[4,5-d]pyrimidin-6-yl)acetamide (PubChem CID 50841692) has the molecular formula C19H13ClN4O2S and a molecular weight of 396.86 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-(7-oxo-3-phenyl-[1,2]thiazolo[4,5-d]pyrimidin-6-yl)acetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-(7-oxo-3-phenyl-[1,2]thiazolo[4,5-d]pyrimidin-6-yl)acetamide
PubChem CID50841692
Molecular FormulaC19H13ClN4O2S
Molecular Weight396.86 g/mol
Exact Mass396.04
IUPAC NameN-(3-chlorophenyl)-2-(7-oxo-3-phenyl-[1,2]thiazolo[4,5-d]pyrimidin-6-yl)acetamide
SMILESO=C(Cn1cnc2c(-c3ccccc3)nsc2c1=O)Nc1cccc(Cl)c1
InChIInChI=1S/C19H13ClN4O2S/c20-13-7-4-8-14(9-13)22-15(25)10-24-11-21-17-16(12-5-2-1-3-6-12)23-27-18(17)19(24)26/h1-9,11H,10H2,(H,22,25)
InChIKeyWKDONPRWILFWGA-UHFFFAOYSA-N
XLogP3.81
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.86
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-(7-oxo-3-phenyl-[1,2]thiazolo[4,5-d]pyrimidin-6-yl)acetamide?
The IUPAC name of N-(3-chlorophenyl)-2-(7-oxo-3-phenyl-[1,2]thiazolo[4,5-d]pyrimidin-6-yl)acetamide (CID 50841692) is N-(3-chlorophenyl)-2-(7-oxo-3-phenyl-[1,2]thiazolo[4,5-d]pyrimidin-6-yl)acetamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-(7-oxo-3-phenyl-[1,2]thiazolo[4,5-d]pyrimidin-6-yl)acetamide?
The canonical SMILES for N-(3-chlorophenyl)-2-(7-oxo-3-phenyl-[1,2]thiazolo[4,5-d]pyrimidin-6-yl)acetamide is O=C(Cn1cnc2c(-c3ccccc3)nsc2c1=O)Nc1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-2-(7-oxo-3-phenyl-[1,2]thiazolo[4,5-d]pyrimidin-6-yl)acetamide?
The InChIKey is WKDONPRWILFWGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClN4O2S/c20-13-7-4-8-14(9-13)22-15(25)10-24-11-21-17-16(12-5-2-1-3-6-12)23-27-18(17)19(24)26/h1-9,11H,10H2,(H,22,25).
What are the key properties of N-(3-chlorophenyl)-2-(7-oxo-3-phenyl-[1,2]thiazolo[4,5-d]pyrimidin-6-yl)acetamide?
N-(3-chlorophenyl)-2-(7-oxo-3-phenyl-[1,2]thiazolo[4,5-d]pyrimidin-6-yl)acetamide has a molecular weight of 396.86 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-(7-oxo-3-phenyl-[1,2]thiazolo[4,5-d]pyrimidin-6-yl)acetamide is sourced from PubChem (CID 50841692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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