[5-(7-amino-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-1-methyl-4-phenylimidazol-2-yl]-(2,5-dimethylpyrazol-3-yl)methanol

C21H20N8OS — CID 69194231

IUPAC[5-(7-amino-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-1-methyl-4-phenylimidazol-2-yl]-(2,5-dimethylpyrazol-3-yl)methanol
SMILESCc1cc(C(O)c2nc(-c3ccccc3)c(-c3nc4c(N)ncnc4s3)n2C)n(C)n1
InChIInChI=1S/C21H20N8OS/c1-11-9-13(29(3)27-11)17(30)19-25-14(12-7-5-4-6-8-12)16(28(19)2)21-26-15-18(22)23-10-24-20(15)31-21/h4-10,17,30H,1-3H3,(H2,22,23,24)
InChIKeyHBGSATKPYRSXDL-UHFFFAOYSA-N
MW432.51 g/mol
LogP2.86
Rot. Bonds4

About [5-(7-amino-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-1-methyl-4-phenylimidazol-2-yl]-(2,5-dimethylpyrazol-3-yl)methanol

[5-(7-amino-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-1-methyl-4-phenylimidazol-2-yl]-(2,5-dimethylpyrazol-3-yl)methanol (PubChem CID 69194231) has the molecular formula C21H20N8OS and a molecular weight of 432.51 g/mol. Its IUPAC name is [5-(7-amino-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-1-methyl-4-phenylimidazol-2-yl]-(2,5-dimethylpyrazol-3-yl)methanol.

Molecular Properties

Compound Name[5-(7-amino-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-1-methyl-4-phenylimidazol-2-yl]-(2,5-dimethylpyrazol-3-yl)methanol
PubChem CID69194231
Molecular FormulaC21H20N8OS
Molecular Weight432.51 g/mol
Exact Mass432.15
IUPAC Name[5-(7-amino-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-1-methyl-4-phenylimidazol-2-yl]-(2,5-dimethylpyrazol-3-yl)methanol
SMILESCc1cc(C(O)c2nc(-c3ccccc3)c(-c3nc4c(N)ncnc4s3)n2C)n(C)n1
InChIInChI=1S/C21H20N8OS/c1-11-9-13(29(3)27-11)17(30)19-25-14(12-7-5-4-6-8-12)16(28(19)2)21-26-15-18(22)23-10-24-20(15)31-21/h4-10,17,30H,1-3H3,(H2,22,23,24)
InChIKeyHBGSATKPYRSXDL-UHFFFAOYSA-N
XLogP2.86
TPSA120.56 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.51
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of [5-(7-amino-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-1-methyl-4-phenylimidazol-2-yl]-(2,5-dimethylpyrazol-3-yl)methanol?
The IUPAC name of [5-(7-amino-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-1-methyl-4-phenylimidazol-2-yl]-(2,5-dimethylpyrazol-3-yl)methanol (CID 69194231) is [5-(7-amino-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-1-methyl-4-phenylimidazol-2-yl]-(2,5-dimethylpyrazol-3-yl)methanol.
What is the SMILES notation for [5-(7-amino-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-1-methyl-4-phenylimidazol-2-yl]-(2,5-dimethylpyrazol-3-yl)methanol?
The canonical SMILES for [5-(7-amino-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-1-methyl-4-phenylimidazol-2-yl]-(2,5-dimethylpyrazol-3-yl)methanol is Cc1cc(C(O)c2nc(-c3ccccc3)c(-c3nc4c(N)ncnc4s3)n2C)n(C)n1.
What is the InChIKey of [5-(7-amino-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-1-methyl-4-phenylimidazol-2-yl]-(2,5-dimethylpyrazol-3-yl)methanol?
The InChIKey is HBGSATKPYRSXDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N8OS/c1-11-9-13(29(3)27-11)17(30)19-25-14(12-7-5-4-6-8-12)16(28(19)2)21-26-15-18(22)23-10-24-20(15)31-21/h4-10,17,30H,1-3H3,(H2,22,23,24).
What are the key properties of [5-(7-amino-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-1-methyl-4-phenylimidazol-2-yl]-(2,5-dimethylpyrazol-3-yl)methanol?
[5-(7-amino-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-1-methyl-4-phenylimidazol-2-yl]-(2,5-dimethylpyrazol-3-yl)methanol has a molecular weight of 432.51 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(7-amino-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-1-methyl-4-phenylimidazol-2-yl]-(2,5-dimethylpyrazol-3-yl)methanol is sourced from PubChem (CID 69194231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).