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

C17H18ClN5O2S — CID 66780007

IUPAC5-amino-4-[(3-chloro-2-methylphenyl)methyl]-2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one
SMILESCc1c(Cl)cccc1Cn1c(N)nc(=O)c2sc(N3CCOCC3)nc21
InChIInChI=1S/C17H18ClN5O2S/c1-10-11(3-2-4-12(10)18)9-23-14-13(15(24)21-16(23)19)26-17(20-14)22-5-7-25-8-6-22/h2-4H,5-9H2,1H3,(H2,19,21,24)
InChIKeyCKHPFLCGVWVXKU-UHFFFAOYSA-N
MW391.88 g/mol
LogP2.28
Rot. Bonds3

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

5-amino-4-[(3-chloro-2-methylphenyl)methyl]-2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one (PubChem CID 66780007) has the molecular formula C17H18ClN5O2S and a molecular weight of 391.88 g/mol. Its IUPAC name is 5-amino-4-[(3-chloro-2-methylphenyl)methyl]-2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one.

Molecular Properties

Compound Name5-amino-4-[(3-chloro-2-methylphenyl)methyl]-2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one
PubChem CID66780007
Molecular FormulaC17H18ClN5O2S
Molecular Weight391.88 g/mol
Exact Mass391.09
IUPAC Name5-amino-4-[(3-chloro-2-methylphenyl)methyl]-2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one
SMILESCc1c(Cl)cccc1Cn1c(N)nc(=O)c2sc(N3CCOCC3)nc21
InChIInChI=1S/C17H18ClN5O2S/c1-10-11(3-2-4-12(10)18)9-23-14-13(15(24)21-16(23)19)26-17(20-14)22-5-7-25-8-6-22/h2-4H,5-9H2,1H3,(H2,19,21,24)
InChIKeyCKHPFLCGVWVXKU-UHFFFAOYSA-N
XLogP2.28
TPSA86.27 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.88
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[(3-chloro-2-methylphenyl)methyl]-2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one?
The IUPAC name of 5-amino-4-[(3-chloro-2-methylphenyl)methyl]-2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one (CID 66780007) is 5-amino-4-[(3-chloro-2-methylphenyl)methyl]-2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one.
What is the SMILES notation for 5-amino-4-[(3-chloro-2-methylphenyl)methyl]-2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one?
The canonical SMILES for 5-amino-4-[(3-chloro-2-methylphenyl)methyl]-2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one is Cc1c(Cl)cccc1Cn1c(N)nc(=O)c2sc(N3CCOCC3)nc21.
What is the InChIKey of 5-amino-4-[(3-chloro-2-methylphenyl)methyl]-2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one?
The InChIKey is CKHPFLCGVWVXKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN5O2S/c1-10-11(3-2-4-12(10)18)9-23-14-13(15(24)21-16(23)19)26-17(20-14)22-5-7-25-8-6-22/h2-4H,5-9H2,1H3,(H2,19,21,24).
What are the key properties of 5-amino-4-[(3-chloro-2-methylphenyl)methyl]-2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one?
5-amino-4-[(3-chloro-2-methylphenyl)methyl]-2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one has a molecular weight of 391.88 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[(3-chloro-2-methylphenyl)methyl]-2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one is sourced from PubChem (CID 66780007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).