4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-N-quinoxalin-6-ylpiperazine-1-carboxamide

C18H17N9OS — CID 71572886

IUPAC4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-N-quinoxalin-6-ylpiperazine-1-carboxamide
SMILESNc1nc(N2CCN(C(=O)Nc3ccc4nccnc4c3)CC2)c2ncsc2n1
InChIInChI=1S/C18H17N9OS/c19-17-24-15(14-16(25-17)29-10-22-14)26-5-7-27(8-6-26)18(28)23-11-1-2-12-13(9-11)21-4-3-20-12/h1-4,9-10H,5-8H2,(H,23,28)(H2,19,24,25)
InChIKeyDLFQDEXGFSWIAB-UHFFFAOYSA-N
MW407.46 g/mol
LogP1.97
Rot. Bonds2

About 4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-N-quinoxalin-6-ylpiperazine-1-carboxamide

4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-N-quinoxalin-6-ylpiperazine-1-carboxamide (PubChem CID 71572886) has the molecular formula C18H17N9OS and a molecular weight of 407.46 g/mol. Its IUPAC name is 4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-N-quinoxalin-6-ylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-N-quinoxalin-6-ylpiperazine-1-carboxamide
PubChem CID71572886
Molecular FormulaC18H17N9OS
Molecular Weight407.46 g/mol
Exact Mass407.13
IUPAC Name4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-N-quinoxalin-6-ylpiperazine-1-carboxamide
SMILESNc1nc(N2CCN(C(=O)Nc3ccc4nccnc4c3)CC2)c2ncsc2n1
InChIInChI=1S/C18H17N9OS/c19-17-24-15(14-16(25-17)29-10-22-14)26-5-7-27(8-6-26)18(28)23-11-1-2-12-13(9-11)21-4-3-20-12/h1-4,9-10H,5-8H2,(H,23,28)(H2,19,24,25)
InChIKeyDLFQDEXGFSWIAB-UHFFFAOYSA-N
XLogP1.97
TPSA126.05 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.46
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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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)-N-quinoxalin-6-ylpiperazine-1-carboxamide?
The IUPAC name of 4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-N-quinoxalin-6-ylpiperazine-1-carboxamide (CID 71572886) is 4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-N-quinoxalin-6-ylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-N-quinoxalin-6-ylpiperazine-1-carboxamide?
The canonical SMILES for 4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-N-quinoxalin-6-ylpiperazine-1-carboxamide is Nc1nc(N2CCN(C(=O)Nc3ccc4nccnc4c3)CC2)c2ncsc2n1.
What is the InChIKey of 4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-N-quinoxalin-6-ylpiperazine-1-carboxamide?
The InChIKey is DLFQDEXGFSWIAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N9OS/c19-17-24-15(14-16(25-17)29-10-22-14)26-5-7-27(8-6-26)18(28)23-11-1-2-12-13(9-11)21-4-3-20-12/h1-4,9-10H,5-8H2,(H,23,28)(H2,19,24,25).
What are the key properties of 4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-N-quinoxalin-6-ylpiperazine-1-carboxamide?
4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-N-quinoxalin-6-ylpiperazine-1-carboxamide has a molecular weight of 407.46 g/mol, XLogP of 1.97, 2 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-N-quinoxalin-6-ylpiperazine-1-carboxamide is sourced from PubChem (CID 71572886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).