1-(7-oxo-6H-[1,3]thiazolo[4,5-d]pyrimidin-2-yl)-N-propan-2-ylpiperidine-4-carboxamide

C14H19N5O2S — CID 135657672

IUPAC1-(7-oxo-6H-[1,3]thiazolo[4,5-d]pyrimidin-2-yl)-N-propan-2-ylpiperidine-4-carboxamide
SMILESCC(C)NC(=O)C1CCN(c2nc3nc[nH]c(=O)c3s2)CC1
InChIInChI=1S/C14H19N5O2S/c1-8(2)17-12(20)9-3-5-19(6-4-9)14-18-11-10(22-14)13(21)16-7-15-11/h7-9H,3-6H2,1-2H3,(H,17,20)(H,15,16,21)
InChIKeyDVDXMSCTPVTWDK-UHFFFAOYSA-N
MW321.41 g/mol
LogP1.12
Rot. Bonds3

About 1-(7-oxo-6H-[1,3]thiazolo[4,5-d]pyrimidin-2-yl)-N-propan-2-ylpiperidine-4-carboxamide

1-(7-oxo-6H-[1,3]thiazolo[4,5-d]pyrimidin-2-yl)-N-propan-2-ylpiperidine-4-carboxamide (PubChem CID 135657672) has the molecular formula C14H19N5O2S and a molecular weight of 321.41 g/mol. Its IUPAC name is 1-(7-oxo-6H-[1,3]thiazolo[4,5-d]pyrimidin-2-yl)-N-propan-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(7-oxo-6H-[1,3]thiazolo[4,5-d]pyrimidin-2-yl)-N-propan-2-ylpiperidine-4-carboxamide
PubChem CID135657672
Molecular FormulaC14H19N5O2S
Molecular Weight321.41 g/mol
Exact Mass321.13
IUPAC Name1-(7-oxo-6H-[1,3]thiazolo[4,5-d]pyrimidin-2-yl)-N-propan-2-ylpiperidine-4-carboxamide
SMILESCC(C)NC(=O)C1CCN(c2nc3nc[nH]c(=O)c3s2)CC1
InChIInChI=1S/C14H19N5O2S/c1-8(2)17-12(20)9-3-5-19(6-4-9)14-18-11-10(22-14)13(21)16-7-15-11/h7-9H,3-6H2,1-2H3,(H,17,20)(H,15,16,21)
InChIKeyDVDXMSCTPVTWDK-UHFFFAOYSA-N
XLogP1.12
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.41
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(7-oxo-6H-[1,3]thiazolo[4,5-d]pyrimidin-2-yl)-N-propan-2-ylpiperidine-4-carboxamide?
The IUPAC name of 1-(7-oxo-6H-[1,3]thiazolo[4,5-d]pyrimidin-2-yl)-N-propan-2-ylpiperidine-4-carboxamide (CID 135657672) is 1-(7-oxo-6H-[1,3]thiazolo[4,5-d]pyrimidin-2-yl)-N-propan-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(7-oxo-6H-[1,3]thiazolo[4,5-d]pyrimidin-2-yl)-N-propan-2-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-(7-oxo-6H-[1,3]thiazolo[4,5-d]pyrimidin-2-yl)-N-propan-2-ylpiperidine-4-carboxamide is CC(C)NC(=O)C1CCN(c2nc3nc[nH]c(=O)c3s2)CC1.
What is the InChIKey of 1-(7-oxo-6H-[1,3]thiazolo[4,5-d]pyrimidin-2-yl)-N-propan-2-ylpiperidine-4-carboxamide?
The InChIKey is DVDXMSCTPVTWDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2S/c1-8(2)17-12(20)9-3-5-19(6-4-9)14-18-11-10(22-14)13(21)16-7-15-11/h7-9H,3-6H2,1-2H3,(H,17,20)(H,15,16,21).
What are the key properties of 1-(7-oxo-6H-[1,3]thiazolo[4,5-d]pyrimidin-2-yl)-N-propan-2-ylpiperidine-4-carboxamide?
1-(7-oxo-6H-[1,3]thiazolo[4,5-d]pyrimidin-2-yl)-N-propan-2-ylpiperidine-4-carboxamide has a molecular weight of 321.41 g/mol, XLogP of 1.12, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-oxo-6H-[1,3]thiazolo[4,5-d]pyrimidin-2-yl)-N-propan-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 135657672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).