7-[[4-(2-hydroxyethyl)triazol-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C11H11N5O2S — CID 55067091

IUPAC7-[[4-(2-hydroxyethyl)triazol-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=c1cc(Cn2cc(CCO)nn2)nc2sccn12
InChIInChI=1S/C11H11N5O2S/c17-3-1-8-6-15(14-13-8)7-9-5-10(18)16-2-4-19-11(16)12-9/h2,4-6,17H,1,3,7H2
InChIKeyDSCDWBSPEBHBIT-UHFFFAOYSA-N
MW277.31 g/mol
LogP-0.07
Rot. Bonds4

About 7-[[4-(2-hydroxyethyl)triazol-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

7-[[4-(2-hydroxyethyl)triazol-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 55067091) has the molecular formula C11H11N5O2S and a molecular weight of 277.31 g/mol. Its IUPAC name is 7-[[4-(2-hydroxyethyl)triazol-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-[[4-(2-hydroxyethyl)triazol-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID55067091
Molecular FormulaC11H11N5O2S
Molecular Weight277.31 g/mol
Exact Mass277.06
IUPAC Name7-[[4-(2-hydroxyethyl)triazol-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=c1cc(Cn2cc(CCO)nn2)nc2sccn12
InChIInChI=1S/C11H11N5O2S/c17-3-1-8-6-15(14-13-8)7-9-5-10(18)16-2-4-19-11(16)12-9/h2,4-6,17H,1,3,7H2
InChIKeyDSCDWBSPEBHBIT-UHFFFAOYSA-N
XLogP-0.07
TPSA85.31 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

7-[[4-(1-aminoethyl)triazol-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 114419977
7-[[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 79410044
2-[carboxymethyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetic acid
CID 63646465
7-(methylaminomethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 127002284
7-[[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 6464319
7-[[4-[(4-bromophenyl)methyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 112798840
7-[[5-(hydroxymethyl)-3,4-dimethyl-6-oxopyridazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 167991252
7-[(4-aminopiperidin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one;hydrochloride
CID 119908074
3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]thieno[3,2-d]pyrimidin-4-one
CID 17448867
3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]butanoic acid
CID 66137594
(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl N'-methylcarbamimidothioate
CID 8776315
7-[(3-hydroxy-3-methylpiperidin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 115874148

Frequently Asked Questions

What is the IUPAC name of 7-[[4-(2-hydroxyethyl)triazol-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-[[4-(2-hydroxyethyl)triazol-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 55067091) is 7-[[4-(2-hydroxyethyl)triazol-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-[[4-(2-hydroxyethyl)triazol-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-[[4-(2-hydroxyethyl)triazol-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is O=c1cc(Cn2cc(CCO)nn2)nc2sccn12.
What is the InChIKey of 7-[[4-(2-hydroxyethyl)triazol-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is DSCDWBSPEBHBIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O2S/c17-3-1-8-6-15(14-13-8)7-9-5-10(18)16-2-4-19-11(16)12-9/h2,4-6,17H,1,3,7H2.
What are the key properties of 7-[[4-(2-hydroxyethyl)triazol-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-[[4-(2-hydroxyethyl)triazol-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 277.31 g/mol, XLogP of -0.07, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[4-(2-hydroxyethyl)triazol-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 55067091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).