N-(2-bicyclo[2.2.1]heptanyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C14H17N3O2S — CID 126668324

IUPACN-(2-bicyclo[2.2.1]heptanyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESO=C(NC1CC2CCC1C2)c1cnc2n(c1=O)CCS2
InChIInChI=1S/C14H17N3O2S/c18-12(16-11-6-8-1-2-9(11)5-8)10-7-15-14-17(13(10)19)3-4-20-14/h7-9,11H,1-6H2,(H,16,18)
InChIKeyWIIVOICNXWFWBL-UHFFFAOYSA-N
MW291.38 g/mol
LogP1.27
Rot. Bonds2

About N-(2-bicyclo[2.2.1]heptanyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

N-(2-bicyclo[2.2.1]heptanyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 126668324) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID126668324
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC NameN-(2-bicyclo[2.2.1]heptanyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESO=C(NC1CC2CCC1C2)c1cnc2n(c1=O)CCS2
InChIInChI=1S/C14H17N3O2S/c18-12(16-11-6-8-1-2-9(11)5-8)10-7-15-14-17(13(10)19)3-4-20-14/h7-9,11H,1-6H2,(H,16,18)
InChIKeyWIIVOICNXWFWBL-UHFFFAOYSA-N
XLogP1.27
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 126668324) is N-(2-bicyclo[2.2.1]heptanyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is O=C(NC1CC2CCC1C2)c1cnc2n(c1=O)CCS2.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is WIIVOICNXWFWBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c18-12(16-11-6-8-1-2-9(11)5-8)10-7-15-14-17(13(10)19)3-4-20-14/h7-9,11H,1-6H2,(H,16,18).
What are the key properties of N-(2-bicyclo[2.2.1]heptanyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N-(2-bicyclo[2.2.1]heptanyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 291.38 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]heptanyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 126668324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).