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

C14H10N6OS2 — CID 2415936

IUPAC7-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=c1cc(CSc2nnnn2-c2ccccc2)nc2sccn12
InChIInChI=1S/C14H10N6OS2/c21-12-8-10(15-13-19(12)6-7-22-13)9-23-14-16-17-18-20(14)11-4-2-1-3-5-11/h1-8H,9H2
InChIKeyRFWLKIRNKCTEGZ-UHFFFAOYSA-N
MW342.41 g/mol
LogP2.02
Rot. Bonds4

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

7-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 2415936) has the molecular formula C14H10N6OS2 and a molecular weight of 342.41 g/mol. Its IUPAC name is 7-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID2415936
Molecular FormulaC14H10N6OS2
Molecular Weight342.41 g/mol
Exact Mass342.04
IUPAC Name7-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=c1cc(CSc2nnnn2-c2ccccc2)nc2sccn12
InChIInChI=1S/C14H10N6OS2/c21-12-8-10(15-13-19(12)6-7-22-13)9-23-14-16-17-18-20(14)11-4-2-1-3-5-11/h1-8H,9H2
InChIKeyRFWLKIRNKCTEGZ-UHFFFAOYSA-N
XLogP2.02
TPSA77.97 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

3-phenyl-7-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 2415764
5-bromo-6-[(1-phenyltetrazol-5-yl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole
CID 1414498
7-[(4-oxo-3-phenylquinazolin-2-yl)sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 2659644
7-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 2603806
5-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1H-tetrazolo[1,5-a]pyrimidin-7-one
CID 941018
2-[[1-(3-methylphenyl)tetrazol-5-yl]sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one
CID 51216820
7-[[4-(4-ethoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 112781878
7-[[3-(3,4-dichlorophenyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 5217824
3-methyl-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]-6-phenylthieno[2,3-d]pyrimidin-4-one
CID 42892449
7-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 3251293
2-methyl-4-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazole
CID 972372
7-[[1-(2-methylphenyl)imidazol-2-yl]sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 51184904

Frequently Asked Questions

What is the IUPAC name of 7-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 2415936) is 7-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is O=c1cc(CSc2nnnn2-c2ccccc2)nc2sccn12.
What is the InChIKey of 7-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is RFWLKIRNKCTEGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N6OS2/c21-12-8-10(15-13-19(12)6-7-22-13)9-23-14-16-17-18-20(14)11-4-2-1-3-5-11/h1-8H,9H2.
What are the key properties of 7-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 342.41 g/mol, XLogP of 2.02, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 2415936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).