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

C16H15ClN4O2S — CID 66780835

IUPAC4-[(2-chlorophenyl)methyl]-2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one
SMILESO=c1ncn(Cc2ccccc2Cl)c2nc(N3CCOCC3)sc12
InChIInChI=1S/C16H15ClN4O2S/c17-12-4-2-1-3-11(12)9-21-10-18-15(22)13-14(21)19-16(24-13)20-5-7-23-8-6-20/h1-4,10H,5-9H2
InChIKeyUVMCCRMQKJPSRW-UHFFFAOYSA-N
MW362.84 g/mol
LogP2.39
Rot. Bonds3

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

4-[(2-chlorophenyl)methyl]-2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one (PubChem CID 66780835) has the molecular formula C16H15ClN4O2S and a molecular weight of 362.84 g/mol. Its IUPAC name is 4-[(2-chlorophenyl)methyl]-2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one.

Molecular Properties

Compound Name4-[(2-chlorophenyl)methyl]-2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one
PubChem CID66780835
Molecular FormulaC16H15ClN4O2S
Molecular Weight362.84 g/mol
Exact Mass362.06
IUPAC Name4-[(2-chlorophenyl)methyl]-2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one
SMILESO=c1ncn(Cc2ccccc2Cl)c2nc(N3CCOCC3)sc12
InChIInChI=1S/C16H15ClN4O2S/c17-12-4-2-1-3-11(12)9-21-10-18-15(22)13-14(21)19-16(24-13)20-5-7-23-8-6-20/h1-4,10H,5-9H2
InChIKeyUVMCCRMQKJPSRW-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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Related Compounds

Thiazolo[4,5-d]pyrimidin-7(4H)-one, 5-methyl-4-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-2-(4-morpholinyl)-
CID 49778924
4-[(3-chloro-2-methylphenyl)methyl]-5-methyl-2-(4-morpholinyl)[1,3]thiazolo[4,5-d]pyrimidin-7(4H)-one
CID 66779813
4-[(3-chloro-2-methylphenyl)methyl]-5-(methyloxy)-2-(4-morpholinyl)[1,3]thiazolo[4,5-d]pyrimidin-7(4H)-one
CID 66779989
5-amino-4-[(3-chloro-2-methylphenyl)methyl]-2-(4-morpholinyl)[1,3]thiazolo[4,5-d]pyrimidin-7(4H)-one
CID 66780007
5-Ethyl-4-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one
CID 66780100
{[4-[(3-Chloro-2-methylphenyl)methyl]-2-(4-morpholinyl)-7-oxo-4,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]thio}acetic acid
CID 66780118
4-[(3-chloro-2-methylphenyl)methyl]-5-(methylthio)-2-(4-morpholinyl)[1,3]thiazolo[4,5-d]pyrimidin-7(4H)-one
CID 66780292
4-[(3-chloro-2-methylphenyl)methyl]-5-(hydroxymethyl)-2-(4-morpholinyl)[1,3]thiazolo[4,5-d]pyrimidin-7(4H)-one
CID 66780337
4-[[2-Methyl-3-(trifluoromethyl)phenyl]methyl]-2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one
CID 66779905
4-[(3-Chlorophenyl)methyl]-2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one
CID 66779920
4-Benzyl-2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one
CID 66780027
4-[(2,3-Dichlorophenyl)methyl]-2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one
CID 66780266

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chlorophenyl)methyl]-2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one?
The IUPAC name of 4-[(2-chlorophenyl)methyl]-2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one (CID 66780835) is 4-[(2-chlorophenyl)methyl]-2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one.
What is the SMILES notation for 4-[(2-chlorophenyl)methyl]-2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one?
The canonical SMILES for 4-[(2-chlorophenyl)methyl]-2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one is O=c1ncn(Cc2ccccc2Cl)c2nc(N3CCOCC3)sc12.
What is the InChIKey of 4-[(2-chlorophenyl)methyl]-2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one?
The InChIKey is UVMCCRMQKJPSRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4O2S/c17-12-4-2-1-3-11(12)9-21-10-18-15(22)13-14(21)19-16(24-13)20-5-7-23-8-6-20/h1-4,10H,5-9H2.
What are the key properties of 4-[(2-chlorophenyl)methyl]-2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one?
4-[(2-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-[(2-chlorophenyl)methyl]-2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one is sourced from PubChem (CID 66780835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).