[3-[7-(3,4-dimethoxyanilino)-[1,3]thiazolo[5,4-d]pyrimidin-5-yl]phenyl]methanol

C20H18N4O3S — CID 66550548

IUPAC[3-[7-(3,4-dimethoxyanilino)-[1,3]thiazolo[5,4-d]pyrimidin-5-yl]phenyl]methanol
SMILESCOc1ccc(Nc2nc(-c3cccc(CO)c3)nc3scnc23)cc1OC
InChIInChI=1S/C20H18N4O3S/c1-26-15-7-6-14(9-16(15)27-2)22-19-17-20(28-11-21-17)24-18(23-19)13-5-3-4-12(8-13)10-25/h3-9,11,25H,10H2,1-2H3,(H,22,23,24)
InChIKeyLCCJDQFHDRNMOQ-UHFFFAOYSA-N
MW394.46 g/mol
LogP4.01
Rot. Bonds6

About [3-[7-(3,4-dimethoxyanilino)-[1,3]thiazolo[5,4-d]pyrimidin-5-yl]phenyl]methanol

[3-[7-(3,4-dimethoxyanilino)-[1,3]thiazolo[5,4-d]pyrimidin-5-yl]phenyl]methanol (PubChem CID 66550548) has the molecular formula C20H18N4O3S and a molecular weight of 394.46 g/mol. Its IUPAC name is [3-[7-(3,4-dimethoxyanilino)-[1,3]thiazolo[5,4-d]pyrimidin-5-yl]phenyl]methanol.

Molecular Properties

Compound Name[3-[7-(3,4-dimethoxyanilino)-[1,3]thiazolo[5,4-d]pyrimidin-5-yl]phenyl]methanol
PubChem CID66550548
Molecular FormulaC20H18N4O3S
Molecular Weight394.46 g/mol
Exact Mass394.11
IUPAC Name[3-[7-(3,4-dimethoxyanilino)-[1,3]thiazolo[5,4-d]pyrimidin-5-yl]phenyl]methanol
SMILESCOc1ccc(Nc2nc(-c3cccc(CO)c3)nc3scnc23)cc1OC
InChIInChI=1S/C20H18N4O3S/c1-26-15-7-6-14(9-16(15)27-2)22-19-17-20(28-11-21-17)24-18(23-19)13-5-3-4-12(8-13)10-25/h3-9,11,25H,10H2,1-2H3,(H,22,23,24)
InChIKeyLCCJDQFHDRNMOQ-UHFFFAOYSA-N
XLogP4.01
TPSA89.39 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.46
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [3-[7-(3,4-dimethoxyanilino)-[1,3]thiazolo[5,4-d]pyrimidin-5-yl]phenyl]methanol?
The IUPAC name of [3-[7-(3,4-dimethoxyanilino)-[1,3]thiazolo[5,4-d]pyrimidin-5-yl]phenyl]methanol (CID 66550548) is [3-[7-(3,4-dimethoxyanilino)-[1,3]thiazolo[5,4-d]pyrimidin-5-yl]phenyl]methanol.
What is the SMILES notation for [3-[7-(3,4-dimethoxyanilino)-[1,3]thiazolo[5,4-d]pyrimidin-5-yl]phenyl]methanol?
The canonical SMILES for [3-[7-(3,4-dimethoxyanilino)-[1,3]thiazolo[5,4-d]pyrimidin-5-yl]phenyl]methanol is COc1ccc(Nc2nc(-c3cccc(CO)c3)nc3scnc23)cc1OC.
What is the InChIKey of [3-[7-(3,4-dimethoxyanilino)-[1,3]thiazolo[5,4-d]pyrimidin-5-yl]phenyl]methanol?
The InChIKey is LCCJDQFHDRNMOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O3S/c1-26-15-7-6-14(9-16(15)27-2)22-19-17-20(28-11-21-17)24-18(23-19)13-5-3-4-12(8-13)10-25/h3-9,11,25H,10H2,1-2H3,(H,22,23,24).
What are the key properties of [3-[7-(3,4-dimethoxyanilino)-[1,3]thiazolo[5,4-d]pyrimidin-5-yl]phenyl]methanol?
[3-[7-(3,4-dimethoxyanilino)-[1,3]thiazolo[5,4-d]pyrimidin-5-yl]phenyl]methanol has a molecular weight of 394.46 g/mol, XLogP of 4.01, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[7-(3,4-dimethoxyanilino)-[1,3]thiazolo[5,4-d]pyrimidin-5-yl]phenyl]methanol is sourced from PubChem (CID 66550548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).