3-piperidin-4-yl-5H-[1,2]thiazolo[5,4-d]pyrimidin-4-one

C10H12N4OS — CID 136922606

IUPAC3-piperidin-4-yl-5H-[1,2]thiazolo[5,4-d]pyrimidin-4-one
SMILESO=c1[nH]cnc2snc(C3CCNCC3)c12
InChIInChI=1S/C10H12N4OS/c15-9-7-8(6-1-3-11-4-2-6)14-16-10(7)13-5-12-9/h5-6,11H,1-4H2,(H,12,13,15)
InChIKeyLCNHPTVFTOLFOI-UHFFFAOYSA-N
MW236.30 g/mol
LogP0.85
Rot. Bonds1

About 3-piperidin-4-yl-5H-[1,2]thiazolo[5,4-d]pyrimidin-4-one

3-piperidin-4-yl-5H-[1,2]thiazolo[5,4-d]pyrimidin-4-one (PubChem CID 136922606) has the molecular formula C10H12N4OS and a molecular weight of 236.30 g/mol. Its IUPAC name is 3-piperidin-4-yl-5H-[1,2]thiazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-piperidin-4-yl-5H-[1,2]thiazolo[5,4-d]pyrimidin-4-one
PubChem CID136922606
Molecular FormulaC10H12N4OS
Molecular Weight236.30 g/mol
Exact Mass236.07
IUPAC Name3-piperidin-4-yl-5H-[1,2]thiazolo[5,4-d]pyrimidin-4-one
SMILESO=c1[nH]cnc2snc(C3CCNCC3)c12
InChIInChI=1S/C10H12N4OS/c15-9-7-8(6-1-3-11-4-2-6)14-16-10(7)13-5-12-9/h5-6,11H,1-4H2,(H,12,13,15)
InChIKeyLCNHPTVFTOLFOI-UHFFFAOYSA-N
XLogP0.85
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-5H-[1,2]thiazolo[5,4-d]pyrimidin-4-one
CID 135459391
4-methyl-3-piperidin-4-yl-1,2-benzothiazole
CID 18365321
5-piperidin-4-yl-1H-pyrimidin-2-one;hydrochloride
CID 162339550
12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-5-carboxylic acid
CID 117275173
3-piperidin-4-ylthieno[3,2-d][1,2]thiazole
CID 96604516
5-amino-6-bromo-3H-thieno[2,3-d]pyrimidin-4-one
CID 82384756
7-ethyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one
CID 2928982
(7S)-7-tert-butyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one
CID 712504
7,8-dihydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one
CID 67498830
2-piperidin-4-yl-1,3-thiazol-5-amine
CID 172992650
5-methylsulfonyl-4-piperidin-4-ylpyrimidine;dihydrochloride
CID 71298737
5-amino-4-(piperidin-4-ylmethoxy)-1H-pyrimidin-6-one
CID 114586350

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-4-yl-5H-[1,2]thiazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 3-piperidin-4-yl-5H-[1,2]thiazolo[5,4-d]pyrimidin-4-one (CID 136922606) is 3-piperidin-4-yl-5H-[1,2]thiazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 3-piperidin-4-yl-5H-[1,2]thiazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 3-piperidin-4-yl-5H-[1,2]thiazolo[5,4-d]pyrimidin-4-one is O=c1[nH]cnc2snc(C3CCNCC3)c12.
What is the InChIKey of 3-piperidin-4-yl-5H-[1,2]thiazolo[5,4-d]pyrimidin-4-one?
The InChIKey is LCNHPTVFTOLFOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4OS/c15-9-7-8(6-1-3-11-4-2-6)14-16-10(7)13-5-12-9/h5-6,11H,1-4H2,(H,12,13,15).
What are the key properties of 3-piperidin-4-yl-5H-[1,2]thiazolo[5,4-d]pyrimidin-4-one?
3-piperidin-4-yl-5H-[1,2]thiazolo[5,4-d]pyrimidin-4-one has a molecular weight of 236.30 g/mol, XLogP of 0.85, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-4-yl-5H-[1,2]thiazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 136922606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).