5-(thiomorpholine-4-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-7-one

C11H11N3O2S2 — CID 77095874

IUPAC5-(thiomorpholine-4-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-7-one
SMILESO=C(c1cc(=O)nc2sccn12)N1CCSCC1
InChIInChI=1S/C11H11N3O2S2/c15-9-7-8(14-3-6-18-11(14)12-9)10(16)13-1-4-17-5-2-13/h3,6-7H,1-2,4-5H2
InChIKeyZDAMIOHKXYHVDC-UHFFFAOYSA-N
MW281.36 g/mol
LogP0.94
Rot. Bonds1

About 5-(thiomorpholine-4-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-7-one

5-(thiomorpholine-4-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-7-one (PubChem CID 77095874) has the molecular formula C11H11N3O2S2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 5-(thiomorpholine-4-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-(thiomorpholine-4-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-7-one
PubChem CID77095874
Molecular FormulaC11H11N3O2S2
Molecular Weight281.36 g/mol
Exact Mass281.03
IUPAC Name5-(thiomorpholine-4-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-7-one
SMILESO=C(c1cc(=O)nc2sccn12)N1CCSCC1
InChIInChI=1S/C11H11N3O2S2/c15-9-7-8(14-3-6-18-11(14)12-9)10(16)13-1-4-17-5-2-13/h3,6-7H,1-2,4-5H2
InChIKeyZDAMIOHKXYHVDC-UHFFFAOYSA-N
XLogP0.94
TPSA54.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxylic acid
CID 3335218
methyl 7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxylate
CID 648108
5-[(3R)-3-methyl-3-phenylpiperidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-7-one
CID 97270662
piperidin-1-yl-[5-(thiomorpholin-4-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]methanone
CID 31005446
5-[(2R)-2-(2-thiophen-2-ylethyl)piperidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-7-one
CID 97125561
5-[(3R)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-7-one
CID 97282875
N-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide
CID 91768845
thiomorpholin-4-yl-[6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazol-3-yl]methanone
CID 42197452
5-[chloro(difluoro)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-7-one
CID 10752329
N-methyl-7-oxo-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide
CID 97153544
7-oxo-N-(5-propyl-1,3,4-oxadiazol-2-yl)-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide
CID 157014856
N-[cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide
CID 118783442

Frequently Asked Questions

What is the IUPAC name of 5-(thiomorpholine-4-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-7-one?
The IUPAC name of 5-(thiomorpholine-4-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-7-one (CID 77095874) is 5-(thiomorpholine-4-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-7-one.
What is the SMILES notation for 5-(thiomorpholine-4-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-7-one?
The canonical SMILES for 5-(thiomorpholine-4-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-7-one is O=C(c1cc(=O)nc2sccn12)N1CCSCC1.
What is the InChIKey of 5-(thiomorpholine-4-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-7-one?
The InChIKey is ZDAMIOHKXYHVDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2S2/c15-9-7-8(14-3-6-18-11(14)12-9)10(16)13-1-4-17-5-2-13/h3,6-7H,1-2,4-5H2.
What are the key properties of 5-(thiomorpholine-4-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-7-one?
5-(thiomorpholine-4-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-7-one has a molecular weight of 281.36 g/mol, XLogP of 0.94, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(thiomorpholine-4-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-7-one is sourced from PubChem (CID 77095874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).