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

C21H18N8OS — CID 10387980

IUPAC[5-(7-amino-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-1-methyl-4-phenylimidazol-2-yl]-(2,5-dimethylpyrazol-3-yl)methanone
SMILESCc1cc(C(=O)c2nc(-c3ccccc3)c(-c3nc4c(N)ncnc4s3)n2C)n(C)n1
InChIInChI=1S/C21H18N8OS/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/h4-10H,1-3H3,(H2,22,23,24)
InChIKeyRETWRLJIUYJTMJ-UHFFFAOYSA-N
MW430.50 g/mol
LogP3.01
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)methanone

[5-(7-amino-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-1-methyl-4-phenylimidazol-2-yl]-(2,5-dimethylpyrazol-3-yl)methanone (PubChem CID 10387980) has the molecular formula C21H18N8OS and a molecular weight of 430.50 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)methanone.

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)methanone
PubChem CID10387980
Molecular FormulaC21H18N8OS
Molecular Weight430.50 g/mol
Exact Mass430.13
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)methanone
SMILESCc1cc(C(=O)c2nc(-c3ccccc3)c(-c3nc4c(N)ncnc4s3)n2C)n(C)n1
InChIInChI=1S/C21H18N8OS/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/h4-10H,1-3H3,(H2,22,23,24)
InChIKeyRETWRLJIUYJTMJ-UHFFFAOYSA-N
XLogP3.01
TPSA117.40 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.50
LogP ≤ 53.01
H-Bond Donors ≤ 51
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)methanone?
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)methanone (CID 10387980) is [5-(7-amino-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-1-methyl-4-phenylimidazol-2-yl]-(2,5-dimethylpyrazol-3-yl)methanone.
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)methanone?
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)methanone 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)methanone?
The InChIKey is RETWRLJIUYJTMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N8OS/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/h4-10H,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)methanone?
[5-(7-amino-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-1-methyl-4-phenylimidazol-2-yl]-(2,5-dimethylpyrazol-3-yl)methanone has a molecular weight of 430.50 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 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)methanone is sourced from PubChem (CID 10387980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).