[4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)piperazin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone

C14H16N8OS — CID 71572316

IUPAC[4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)piperazin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
SMILESCc1cc(C(=O)N2CCN(c3nc(N)nc4scnc34)CC2)n[nH]1
InChIInChI=1S/C14H16N8OS/c1-8-6-9(20-19-8)13(23)22-4-2-21(3-5-22)11-10-12(24-7-16-10)18-14(15)17-11/h6-7H,2-5H2,1H3,(H,19,20)(H2,15,17,18)
InChIKeyPJEDTRZFNYFOMS-UHFFFAOYSA-N
MW344.40 g/mol
LogP0.66
Rot. Bonds2

About [4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)piperazin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone

[4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)piperazin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone (PubChem CID 71572316) has the molecular formula C14H16N8OS and a molecular weight of 344.40 g/mol. Its IUPAC name is [4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)piperazin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone.

Molecular Properties

Compound Name[4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)piperazin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
PubChem CID71572316
Molecular FormulaC14H16N8OS
Molecular Weight344.40 g/mol
Exact Mass344.12
IUPAC Name[4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)piperazin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
SMILESCc1cc(C(=O)N2CCN(c3nc(N)nc4scnc34)CC2)n[nH]1
InChIInChI=1S/C14H16N8OS/c1-8-6-9(20-19-8)13(23)22-4-2-21(3-5-22)11-10-12(24-7-16-10)18-14(15)17-11/h6-7H,2-5H2,1H3,(H,19,20)(H2,15,17,18)
InChIKeyPJEDTRZFNYFOMS-UHFFFAOYSA-N
XLogP0.66
TPSA116.92 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.40
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)piperazin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone?
The IUPAC name of [4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)piperazin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone (CID 71572316) is [4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)piperazin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone.
What is the SMILES notation for [4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)piperazin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone?
The canonical SMILES for [4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)piperazin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone is Cc1cc(C(=O)N2CCN(c3nc(N)nc4scnc34)CC2)n[nH]1.
What is the InChIKey of [4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)piperazin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone?
The InChIKey is PJEDTRZFNYFOMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N8OS/c1-8-6-9(20-19-8)13(23)22-4-2-21(3-5-22)11-10-12(24-7-16-10)18-14(15)17-11/h6-7H,2-5H2,1H3,(H,19,20)(H2,15,17,18).
What are the key properties of [4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)piperazin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone?
[4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)piperazin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone has a molecular weight of 344.40 g/mol, XLogP of 0.66, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)piperazin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone is sourced from PubChem (CID 71572316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).