4-[(3-chlorophenyl)methyl]-2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one

C16H15ClN4O2S — CID 66779920

IUPAC4-[(3-chlorophenyl)methyl]-2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one
SMILESO=c1ncn(Cc2cccc(Cl)c2)c2nc(N3CCOCC3)sc12
InChIInChI=1S/C16H15ClN4O2S/c17-12-3-1-2-11(8-12)9-21-10-18-15(22)13-14(21)19-16(24-13)20-4-6-23-7-5-20/h1-3,8,10H,4-7,9H2
InChIKeyQUUHPRPSVOBJKA-UHFFFAOYSA-N
MW362.84 g/mol
LogP2.39
Rot. Bonds3

About 4-[(3-chlorophenyl)methyl]-2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one

4-[(3-chlorophenyl)methyl]-2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one (PubChem CID 66779920) has the molecular formula C16H15ClN4O2S and a molecular weight of 362.84 g/mol. Its IUPAC name is 4-[(3-chlorophenyl)methyl]-2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one.

Molecular Properties

Compound Name4-[(3-chlorophenyl)methyl]-2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one
PubChem CID66779920
Molecular FormulaC16H15ClN4O2S
Molecular Weight362.84 g/mol
Exact Mass362.06
IUPAC Name4-[(3-chlorophenyl)methyl]-2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one
SMILESO=c1ncn(Cc2cccc(Cl)c2)c2nc(N3CCOCC3)sc12
InChIInChI=1S/C16H15ClN4O2S/c17-12-3-1-2-11(8-12)9-21-10-18-15(22)13-14(21)19-16(24-13)20-4-6-23-7-5-20/h1-3,8,10H,4-7,9H2
InChIKeyQUUHPRPSVOBJKA-UHFFFAOYSA-N
XLogP2.39
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.84
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-chlorophenyl)methyl]-2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one?
The IUPAC name of 4-[(3-chlorophenyl)methyl]-2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one (CID 66779920) is 4-[(3-chlorophenyl)methyl]-2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one.
What is the SMILES notation for 4-[(3-chlorophenyl)methyl]-2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one?
The canonical SMILES for 4-[(3-chlorophenyl)methyl]-2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one is O=c1ncn(Cc2cccc(Cl)c2)c2nc(N3CCOCC3)sc12.
What is the InChIKey of 4-[(3-chlorophenyl)methyl]-2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one?
The InChIKey is QUUHPRPSVOBJKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4O2S/c17-12-3-1-2-11(8-12)9-21-10-18-15(22)13-14(21)19-16(24-13)20-4-6-23-7-5-20/h1-3,8,10H,4-7,9H2.
What are the key properties of 4-[(3-chlorophenyl)methyl]-2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one?
4-[(3-chlorophenyl)methyl]-2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one has a molecular weight of 362.84 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-chlorophenyl)methyl]-2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one is sourced from PubChem (CID 66779920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).