[4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)piperazin-1-yl]-(1H-benzimidazol-2-yl)methanone

C17H16N8OS — CID 122444026

IUPAC[4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)piperazin-1-yl]-(1H-benzimidazol-2-yl)methanone
SMILESNc1nc(N2CCN(C(=O)c3nc4ccccc4[nH]3)CC2)c2ncsc2n1
InChIInChI=1S/C17H16N8OS/c18-17-22-14(12-15(23-17)27-9-19-12)24-5-7-25(8-6-24)16(26)13-20-10-3-1-2-4-11(10)21-13/h1-4,9H,5-8H2,(H,20,21)(H2,18,22,23)
InChIKeyXOBCUABWTBFJMQ-UHFFFAOYSA-N
MW380.44 g/mol
LogP1.51
Rot. Bonds2

About [4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)piperazin-1-yl]-(1H-benzimidazol-2-yl)methanone

[4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)piperazin-1-yl]-(1H-benzimidazol-2-yl)methanone (PubChem CID 122444026) has the molecular formula C17H16N8OS and a molecular weight of 380.44 g/mol. Its IUPAC name is [4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)piperazin-1-yl]-(1H-benzimidazol-2-yl)methanone.

Molecular Properties

Compound Name[4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)piperazin-1-yl]-(1H-benzimidazol-2-yl)methanone
PubChem CID122444026
Molecular FormulaC17H16N8OS
Molecular Weight380.44 g/mol
Exact Mass380.12
IUPAC Name[4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)piperazin-1-yl]-(1H-benzimidazol-2-yl)methanone
SMILESNc1nc(N2CCN(C(=O)c3nc4ccccc4[nH]3)CC2)c2ncsc2n1
InChIInChI=1S/C17H16N8OS/c18-17-22-14(12-15(23-17)27-9-19-12)24-5-7-25(8-6-24)16(26)13-20-10-3-1-2-4-11(10)21-13/h1-4,9H,5-8H2,(H,20,21)(H2,18,22,23)
InChIKeyXOBCUABWTBFJMQ-UHFFFAOYSA-N
XLogP1.51
TPSA116.92 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 51.51
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]-(1H-benzimidazol-2-yl)methanone?
The IUPAC name of [4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)piperazin-1-yl]-(1H-benzimidazol-2-yl)methanone (CID 122444026) is [4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)piperazin-1-yl]-(1H-benzimidazol-2-yl)methanone.
What is the SMILES notation for [4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)piperazin-1-yl]-(1H-benzimidazol-2-yl)methanone?
The canonical SMILES for [4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)piperazin-1-yl]-(1H-benzimidazol-2-yl)methanone is Nc1nc(N2CCN(C(=O)c3nc4ccccc4[nH]3)CC2)c2ncsc2n1.
What is the InChIKey of [4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)piperazin-1-yl]-(1H-benzimidazol-2-yl)methanone?
The InChIKey is XOBCUABWTBFJMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N8OS/c18-17-22-14(12-15(23-17)27-9-19-12)24-5-7-25(8-6-24)16(26)13-20-10-3-1-2-4-11(10)21-13/h1-4,9H,5-8H2,(H,20,21)(H2,18,22,23).
What are the key properties of [4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)piperazin-1-yl]-(1H-benzimidazol-2-yl)methanone?
[4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)piperazin-1-yl]-(1H-benzimidazol-2-yl)methanone has a molecular weight of 380.44 g/mol, XLogP of 1.51, 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]-(1H-benzimidazol-2-yl)methanone is sourced from PubChem (CID 122444026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).