3-(4-methoxyphenyl)-7-[(2R)-2-methylpiperidin-1-yl]-[1,2]thiazolo[4,5-d]pyrimidine

C18H20N4OS — CID 1462060

IUPAC3-(4-methoxyphenyl)-7-[(2R)-2-methylpiperidin-1-yl]-[1,2]thiazolo[4,5-d]pyrimidine
SMILESCOc1ccc(-c2nsc3c(N4CCCC[C@H]4C)ncnc23)cc1
InChIInChI=1S/C18H20N4OS/c1-12-5-3-4-10-22(12)18-17-16(19-11-20-18)15(21-24-17)13-6-8-14(23-2)9-7-13/h6-9,11-12H,3-5,10H2,1-2H3/t12-/m1/s1
InChIKeyNZHSKYSJBFOSKP-GFCCVEGCSA-N
MW340.45 g/mol
LogP4.14
Rot. Bonds3

About 3-(4-methoxyphenyl)-7-[(2R)-2-methylpiperidin-1-yl]-[1,2]thiazolo[4,5-d]pyrimidine

3-(4-methoxyphenyl)-7-[(2R)-2-methylpiperidin-1-yl]-[1,2]thiazolo[4,5-d]pyrimidine (PubChem CID 1462060) has the molecular formula C18H20N4OS and a molecular weight of 340.45 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-7-[(2R)-2-methylpiperidin-1-yl]-[1,2]thiazolo[4,5-d]pyrimidine.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-7-[(2R)-2-methylpiperidin-1-yl]-[1,2]thiazolo[4,5-d]pyrimidine
PubChem CID1462060
Molecular FormulaC18H20N4OS
Molecular Weight340.45 g/mol
Exact Mass340.14
IUPAC Name3-(4-methoxyphenyl)-7-[(2R)-2-methylpiperidin-1-yl]-[1,2]thiazolo[4,5-d]pyrimidine
SMILESCOc1ccc(-c2nsc3c(N4CCCC[C@H]4C)ncnc23)cc1
InChIInChI=1S/C18H20N4OS/c1-12-5-3-4-10-22(12)18-17-16(19-11-20-18)15(21-24-17)13-6-8-14(23-2)9-7-13/h6-9,11-12H,3-5,10H2,1-2H3/t12-/m1/s1
InChIKeyNZHSKYSJBFOSKP-GFCCVEGCSA-N
XLogP4.14
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-7-[(2R)-2-methylpiperidin-1-yl]-[1,2]thiazolo[4,5-d]pyrimidine?
The IUPAC name of 3-(4-methoxyphenyl)-7-[(2R)-2-methylpiperidin-1-yl]-[1,2]thiazolo[4,5-d]pyrimidine (CID 1462060) is 3-(4-methoxyphenyl)-7-[(2R)-2-methylpiperidin-1-yl]-[1,2]thiazolo[4,5-d]pyrimidine.
What is the SMILES notation for 3-(4-methoxyphenyl)-7-[(2R)-2-methylpiperidin-1-yl]-[1,2]thiazolo[4,5-d]pyrimidine?
The canonical SMILES for 3-(4-methoxyphenyl)-7-[(2R)-2-methylpiperidin-1-yl]-[1,2]thiazolo[4,5-d]pyrimidine is COc1ccc(-c2nsc3c(N4CCCC[C@H]4C)ncnc23)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-7-[(2R)-2-methylpiperidin-1-yl]-[1,2]thiazolo[4,5-d]pyrimidine?
The InChIKey is NZHSKYSJBFOSKP-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H20N4OS/c1-12-5-3-4-10-22(12)18-17-16(19-11-20-18)15(21-24-17)13-6-8-14(23-2)9-7-13/h6-9,11-12H,3-5,10H2,1-2H3/t12-/m1/s1.
What are the key properties of 3-(4-methoxyphenyl)-7-[(2R)-2-methylpiperidin-1-yl]-[1,2]thiazolo[4,5-d]pyrimidine?
3-(4-methoxyphenyl)-7-[(2R)-2-methylpiperidin-1-yl]-[1,2]thiazolo[4,5-d]pyrimidine has a molecular weight of 340.45 g/mol, XLogP of 4.14, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-7-[(2R)-2-methylpiperidin-1-yl]-[1,2]thiazolo[4,5-d]pyrimidine is sourced from PubChem (CID 1462060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).