7-[[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C14H10N6O2S2 — CID 2529882

IUPAC7-[[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=c1cc(CSc2nnnn2-c2ccc(O)cc2)nc2sccn12
InChIInChI=1S/C14H10N6O2S2/c21-11-3-1-10(2-4-11)20-14(16-17-18-20)24-8-9-7-12(22)19-5-6-23-13(19)15-9/h1-7,21H,8H2
InChIKeyJLGWAIBJIFJPRK-UHFFFAOYSA-N
MW358.41 g/mol
LogP1.73
Rot. Bonds4

About 7-[[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

7-[[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 2529882) has the molecular formula C14H10N6O2S2 and a molecular weight of 358.41 g/mol. Its IUPAC name is 7-[[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-[[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID2529882
Molecular FormulaC14H10N6O2S2
Molecular Weight358.41 g/mol
Exact Mass358.03
IUPAC Name7-[[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=c1cc(CSc2nnnn2-c2ccc(O)cc2)nc2sccn12
InChIInChI=1S/C14H10N6O2S2/c21-11-3-1-10(2-4-11)20-14(16-17-18-20)24-8-9-7-12(22)19-5-6-23-13(19)15-9/h1-7,21H,8H2
InChIKeyJLGWAIBJIFJPRK-UHFFFAOYSA-N
XLogP1.73
TPSA98.20 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.41
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

6-Amino-5-[2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetyl]-3-methyl-1-propylpyrimidine-2,4-dione
CID 2507224
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CID 753223
N-cyclohexyl-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-methylacetamide
CID 2097187
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 1844148
2-(1-Cyclopropyltetrazol-5-yl)sulfanyl-1-[4-(4-hydroxyphenyl)piperazin-1-yl]ethanone
CID 9509555
4-[5-[[6-(Hydroxymethyl)dithiin-3-yl]methylsulfanyl]tetrazol-1-yl]phenol
CID 462643
N-(1,1-dioxothiolan-3-yl)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-methylacetamide
CID 4695068
1-[2-(2-Fluorophenyl)-1,3-thiazolidin-3-yl]-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylethanone
CID 16274997
6-Amino-1-cyclopropyl-5-[2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetyl]pyrimidine-2,4-dione
CID 16297145
2-[1-(4-Hydroxyphenyl)tetrazol-5-yl]sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone
CID 2738236
4-(5-Prop-2-enylsulfanyltetrazol-1-yl)phenol
CID 2801423
4-[5-(2-Methylsulfanylethylsulfanyl)tetrazol-1-yl]phenol
CID 8852458

Frequently Asked Questions

What is the IUPAC name of 7-[[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-[[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 2529882) is 7-[[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-[[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-[[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is O=c1cc(CSc2nnnn2-c2ccc(O)cc2)nc2sccn12.
What is the InChIKey of 7-[[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is JLGWAIBJIFJPRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N6O2S2/c21-11-3-1-10(2-4-11)20-14(16-17-18-20)24-8-9-7-12(22)19-5-6-23-13(19)15-9/h1-7,21H,8H2.
What are the key properties of 7-[[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-[[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 358.41 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 2529882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).