2-[4-(piperidine-1-carbonyl)piperidin-1-yl]-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one

C16H21N5O2S — CID 135657674

IUPAC2-[4-(piperidine-1-carbonyl)piperidin-1-yl]-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one
SMILESO=C(C1CCN(c2nc3nc[nH]c(=O)c3s2)CC1)N1CCCCC1
InChIInChI=1S/C16H21N5O2S/c22-14-12-13(17-10-18-14)19-16(24-12)21-8-4-11(5-9-21)15(23)20-6-2-1-3-7-20/h10-11H,1-9H2,(H,17,18,22)
InChIKeyKTECDRSDMFGCII-UHFFFAOYSA-N
MW347.44 g/mol
LogP1.61
Rot. Bonds2

About 2-[4-(piperidine-1-carbonyl)piperidin-1-yl]-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one

2-[4-(piperidine-1-carbonyl)piperidin-1-yl]-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one (PubChem CID 135657674) has the molecular formula C16H21N5O2S and a molecular weight of 347.44 g/mol. Its IUPAC name is 2-[4-(piperidine-1-carbonyl)piperidin-1-yl]-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-[4-(piperidine-1-carbonyl)piperidin-1-yl]-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one
PubChem CID135657674
Molecular FormulaC16H21N5O2S
Molecular Weight347.44 g/mol
Exact Mass347.14
IUPAC Name2-[4-(piperidine-1-carbonyl)piperidin-1-yl]-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one
SMILESO=C(C1CCN(c2nc3nc[nH]c(=O)c3s2)CC1)N1CCCCC1
InChIInChI=1S/C16H21N5O2S/c22-14-12-13(17-10-18-14)19-16(24-12)21-8-4-11(5-9-21)15(23)20-6-2-1-3-7-20/h10-11H,1-9H2,(H,17,18,22)
InChIKeyKTECDRSDMFGCII-UHFFFAOYSA-N
XLogP1.61
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(piperidine-1-carbonyl)piperidin-1-yl]-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one?
The IUPAC name of 2-[4-(piperidine-1-carbonyl)piperidin-1-yl]-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one (CID 135657674) is 2-[4-(piperidine-1-carbonyl)piperidin-1-yl]-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one.
What is the SMILES notation for 2-[4-(piperidine-1-carbonyl)piperidin-1-yl]-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one?
The canonical SMILES for 2-[4-(piperidine-1-carbonyl)piperidin-1-yl]-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one is O=C(C1CCN(c2nc3nc[nH]c(=O)c3s2)CC1)N1CCCCC1.
What is the InChIKey of 2-[4-(piperidine-1-carbonyl)piperidin-1-yl]-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one?
The InChIKey is KTECDRSDMFGCII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2S/c22-14-12-13(17-10-18-14)19-16(24-12)21-8-4-11(5-9-21)15(23)20-6-2-1-3-7-20/h10-11H,1-9H2,(H,17,18,22).
What are the key properties of 2-[4-(piperidine-1-carbonyl)piperidin-1-yl]-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one?
2-[4-(piperidine-1-carbonyl)piperidin-1-yl]-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one has a molecular weight of 347.44 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(piperidine-1-carbonyl)piperidin-1-yl]-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one is sourced from PubChem (CID 135657674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).