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

C18H19ClN4O2S — CID 66779813

IUPAC4-[(3-chloro-2-methylphenyl)methyl]-5-methyl-2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one
SMILESCc1c(Cl)cccc1Cn1c(C)nc(=O)c2sc(N3CCOCC3)nc21
InChIInChI=1S/C18H19ClN4O2S/c1-11-13(4-3-5-14(11)19)10-23-12(2)20-17(24)15-16(23)21-18(26-15)22-6-8-25-9-7-22/h3-5H,6-10H2,1-2H3
InChIKeyVGTBFMMMRGCJCS-UHFFFAOYSA-N
MW390.90 g/mol
LogP3.01
Rot. Bonds3

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

4-[(3-chloro-2-methylphenyl)methyl]-5-methyl-2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one (PubChem CID 66779813) has the molecular formula C18H19ClN4O2S and a molecular weight of 390.90 g/mol. Its IUPAC name is 4-[(3-chloro-2-methylphenyl)methyl]-5-methyl-2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one.

Molecular Properties

Compound Name4-[(3-chloro-2-methylphenyl)methyl]-5-methyl-2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one
PubChem CID66779813
Molecular FormulaC18H19ClN4O2S
Molecular Weight390.90 g/mol
Exact Mass390.09
IUPAC Name4-[(3-chloro-2-methylphenyl)methyl]-5-methyl-2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one
SMILESCc1c(Cl)cccc1Cn1c(C)nc(=O)c2sc(N3CCOCC3)nc21
InChIInChI=1S/C18H19ClN4O2S/c1-11-13(4-3-5-14(11)19)10-23-12(2)20-17(24)15-16(23)21-18(26-15)22-6-8-25-9-7-22/h3-5H,6-10H2,1-2H3
InChIKeyVGTBFMMMRGCJCS-UHFFFAOYSA-N
XLogP3.01
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.90
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-chloro-2-methylphenyl)methyl]-5-methyl-2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one?
The IUPAC name of 4-[(3-chloro-2-methylphenyl)methyl]-5-methyl-2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one (CID 66779813) is 4-[(3-chloro-2-methylphenyl)methyl]-5-methyl-2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one.
What is the SMILES notation for 4-[(3-chloro-2-methylphenyl)methyl]-5-methyl-2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one?
The canonical SMILES for 4-[(3-chloro-2-methylphenyl)methyl]-5-methyl-2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one is Cc1c(Cl)cccc1Cn1c(C)nc(=O)c2sc(N3CCOCC3)nc21.
What is the InChIKey of 4-[(3-chloro-2-methylphenyl)methyl]-5-methyl-2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one?
The InChIKey is VGTBFMMMRGCJCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O2S/c1-11-13(4-3-5-14(11)19)10-23-12(2)20-17(24)15-16(23)21-18(26-15)22-6-8-25-9-7-22/h3-5H,6-10H2,1-2H3.
What are the key properties of 4-[(3-chloro-2-methylphenyl)methyl]-5-methyl-2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one?
4-[(3-chloro-2-methylphenyl)methyl]-5-methyl-2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one has a molecular weight of 390.90 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-chloro-2-methylphenyl)methyl]-5-methyl-2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one is sourced from PubChem (CID 66779813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).