N-(1-oxaspiro[5.5]undecan-9-yl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C17H23N3O3S — CID 126668404

IUPACN-(1-oxaspiro[5.5]undecan-9-yl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESO=C(NC1CCC2(CCCCO2)CC1)c1cnc2n(c1=O)CCS2
InChIInChI=1S/C17H23N3O3S/c21-14(13-11-18-16-20(15(13)22)8-10-24-16)19-12-3-6-17(7-4-12)5-1-2-9-23-17/h11-12H,1-10H2,(H,19,21)
InChIKeyXYEMSDUHUMRJRZ-UHFFFAOYSA-N
MW349.46 g/mol
LogP1.96
Rot. Bonds2

About N-(1-oxaspiro[5.5]undecan-9-yl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

N-(1-oxaspiro[5.5]undecan-9-yl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 126668404) has the molecular formula C17H23N3O3S and a molecular weight of 349.46 g/mol. Its IUPAC name is N-(1-oxaspiro[5.5]undecan-9-yl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(1-oxaspiro[5.5]undecan-9-yl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID126668404
Molecular FormulaC17H23N3O3S
Molecular Weight349.46 g/mol
Exact Mass349.15
IUPAC NameN-(1-oxaspiro[5.5]undecan-9-yl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESO=C(NC1CCC2(CCCCO2)CC1)c1cnc2n(c1=O)CCS2
InChIInChI=1S/C17H23N3O3S/c21-14(13-11-18-16-20(15(13)22)8-10-24-16)19-12-3-6-17(7-4-12)5-1-2-9-23-17/h11-12H,1-10H2,(H,19,21)
InChIKeyXYEMSDUHUMRJRZ-UHFFFAOYSA-N
XLogP1.96
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(oxan-4-yl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126668325
N-hydroxy-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 46175391
N-(2,3-dimethylcyclohexyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 51179620
N,N-dicyclohexyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 4598644
1-[(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]cyclobutane-1-carboxylic acid
CID 81158143
N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 17469535
5-oxo-N-[(5R)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 96548697
N-(5-hydroxypentyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 107318717
5-oxo-N-[(4R)-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 52516527
3-methyl-1-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)pyrrolidine-3-carboxylic acid
CID 63146802
6-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 9489610
N-hexyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 44774982

Frequently Asked Questions

What is the IUPAC name of N-(1-oxaspiro[5.5]undecan-9-yl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-(1-oxaspiro[5.5]undecan-9-yl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 126668404) is N-(1-oxaspiro[5.5]undecan-9-yl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(1-oxaspiro[5.5]undecan-9-yl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-(1-oxaspiro[5.5]undecan-9-yl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is O=C(NC1CCC2(CCCCO2)CC1)c1cnc2n(c1=O)CCS2.
What is the InChIKey of N-(1-oxaspiro[5.5]undecan-9-yl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is XYEMSDUHUMRJRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3S/c21-14(13-11-18-16-20(15(13)22)8-10-24-16)19-12-3-6-17(7-4-12)5-1-2-9-23-17/h11-12H,1-10H2,(H,19,21).
What are the key properties of N-(1-oxaspiro[5.5]undecan-9-yl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N-(1-oxaspiro[5.5]undecan-9-yl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 349.46 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-oxaspiro[5.5]undecan-9-yl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 126668404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).