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

C14H17N5O2S — CID 135657673

IUPACN-cyclopropyl-1-(7-oxo-6H-[1,3]thiazolo[4,5-d]pyrimidin-2-yl)piperidine-4-carboxamide
SMILESO=C(NC1CC1)C1CCN(c2nc3nc[nH]c(=O)c3s2)CC1
InChIInChI=1S/C14H17N5O2S/c20-12(17-9-1-2-9)8-3-5-19(6-4-8)14-18-11-10(22-14)13(21)16-7-15-11/h7-9H,1-6H2,(H,17,20)(H,15,16,21)
InChIKeyOATJLJUPMSMRFD-UHFFFAOYSA-N
MW319.39 g/mol
LogP0.87
Rot. Bonds3

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

N-cyclopropyl-1-(7-oxo-6H-[1,3]thiazolo[4,5-d]pyrimidin-2-yl)piperidine-4-carboxamide (PubChem CID 135657673) has the molecular formula C14H17N5O2S and a molecular weight of 319.39 g/mol. Its IUPAC name is N-cyclopropyl-1-(7-oxo-6H-[1,3]thiazolo[4,5-d]pyrimidin-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-(7-oxo-6H-[1,3]thiazolo[4,5-d]pyrimidin-2-yl)piperidine-4-carboxamide
PubChem CID135657673
Molecular FormulaC14H17N5O2S
Molecular Weight319.39 g/mol
Exact Mass319.11
IUPAC NameN-cyclopropyl-1-(7-oxo-6H-[1,3]thiazolo[4,5-d]pyrimidin-2-yl)piperidine-4-carboxamide
SMILESO=C(NC1CC1)C1CCN(c2nc3nc[nH]c(=O)c3s2)CC1
InChIInChI=1S/C14H17N5O2S/c20-12(17-9-1-2-9)8-3-5-19(6-4-8)14-18-11-10(22-14)13(21)16-7-15-11/h7-9H,1-6H2,(H,17,20)(H,15,16,21)
InChIKeyOATJLJUPMSMRFD-UHFFFAOYSA-N
XLogP0.87
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-(7-oxo-6H-[1,3]thiazolo[4,5-d]pyrimidin-2-yl)piperidine-4-carboxamide?
The IUPAC name of N-cyclopropyl-1-(7-oxo-6H-[1,3]thiazolo[4,5-d]pyrimidin-2-yl)piperidine-4-carboxamide (CID 135657673) is N-cyclopropyl-1-(7-oxo-6H-[1,3]thiazolo[4,5-d]pyrimidin-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-(7-oxo-6H-[1,3]thiazolo[4,5-d]pyrimidin-2-yl)piperidine-4-carboxamide?
The canonical SMILES for N-cyclopropyl-1-(7-oxo-6H-[1,3]thiazolo[4,5-d]pyrimidin-2-yl)piperidine-4-carboxamide is O=C(NC1CC1)C1CCN(c2nc3nc[nH]c(=O)c3s2)CC1.
What is the InChIKey of N-cyclopropyl-1-(7-oxo-6H-[1,3]thiazolo[4,5-d]pyrimidin-2-yl)piperidine-4-carboxamide?
The InChIKey is OATJLJUPMSMRFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O2S/c20-12(17-9-1-2-9)8-3-5-19(6-4-8)14-18-11-10(22-14)13(21)16-7-15-11/h7-9H,1-6H2,(H,17,20)(H,15,16,21).
What are the key properties of N-cyclopropyl-1-(7-oxo-6H-[1,3]thiazolo[4,5-d]pyrimidin-2-yl)piperidine-4-carboxamide?
N-cyclopropyl-1-(7-oxo-6H-[1,3]thiazolo[4,5-d]pyrimidin-2-yl)piperidine-4-carboxamide has a molecular weight of 319.39 g/mol, XLogP of 0.87, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-(7-oxo-6H-[1,3]thiazolo[4,5-d]pyrimidin-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 135657673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).