5-methyl-3-(thieno[3,2-d]pyrimidin-4-ylsulfanylmethyl)-1,2-oxazole

C11H9N3OS2 — CID 34253828

IUPAC5-methyl-3-(thieno[3,2-d]pyrimidin-4-ylsulfanylmethyl)-1,2-oxazole
SMILESCc1cc(CSc2ncnc3ccsc23)no1
InChIInChI=1S/C11H9N3OS2/c1-7-4-8(14-15-7)5-17-11-10-9(2-3-16-10)12-6-13-11/h2-4,6H,5H2,1H3
InChIKeyFKLJIZGCCGGDIK-UHFFFAOYSA-N
MW263.35 g/mol
LogP3.28
Rot. Bonds3

About 5-methyl-3-(thieno[3,2-d]pyrimidin-4-ylsulfanylmethyl)-1,2-oxazole

5-methyl-3-(thieno[3,2-d]pyrimidin-4-ylsulfanylmethyl)-1,2-oxazole (PubChem CID 34253828) has the molecular formula C11H9N3OS2 and a molecular weight of 263.35 g/mol. Its IUPAC name is 5-methyl-3-(thieno[3,2-d]pyrimidin-4-ylsulfanylmethyl)-1,2-oxazole.

Molecular Properties

Compound Name5-methyl-3-(thieno[3,2-d]pyrimidin-4-ylsulfanylmethyl)-1,2-oxazole
PubChem CID34253828
Molecular FormulaC11H9N3OS2
Molecular Weight263.35 g/mol
Exact Mass263.02
IUPAC Name5-methyl-3-(thieno[3,2-d]pyrimidin-4-ylsulfanylmethyl)-1,2-oxazole
SMILESCc1cc(CSc2ncnc3ccsc23)no1
InChIInChI=1S/C11H9N3OS2/c1-7-4-8(14-15-7)5-17-11-10-9(2-3-16-10)12-6-13-11/h2-4,6H,5H2,1H3
InChIKeyFKLJIZGCCGGDIK-UHFFFAOYSA-N
XLogP3.28
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.35
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-tert-butyl-5-(thieno[3,2-d]pyrimidin-4-ylsulfanylmethyl)-1,2,4-oxadiazole
CID 31532492
3-(4-methoxyphenyl)-5-(thieno[3,2-d]pyrimidin-4-ylsulfanylmethyl)-1,2,4-oxadiazole
CID 18123891
5-methyl-3-[(4-thieno[3,2-d]pyrimidin-4-yl-1,4-diazepan-1-yl)methyl]-1,2-oxazole
CID 138042383
4-[(7-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]thieno[3,2-d]pyrimidine
CID 18124011
5-methyl-3-[(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylmethyl]-1,2-oxazole
CID 42106571
3-[(5-methyl-1,2-oxazol-3-yl)methyl]thieno[3,2-d]pyrimidin-4-one
CID 33279473
methyl 2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetate
CID 2808870
N-(2,4-dimethylphenyl)-N-[4-(thieno[3,2-d]pyrimidin-4-ylsulfanylmethyl)-1,3-thiazol-2-yl]acetamide
CID 34252207
4-[(3-nitrophenyl)methylsulfanyl]thieno[3,2-d]pyrimidine
CID 34244500
N-(4-ethylphenyl)-N-[4-(thieno[3,2-d]pyrimidin-4-ylsulfanylmethyl)-1,3-thiazol-2-yl]acetamide
CID 34252090
1-(1,3-benzodioxol-5-yl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylethanone
CID 51280422
2-(2-chlorophenyl)-5-(thieno[3,2-d]pyrimidin-4-ylsulfanylmethyl)-1,3,4-oxadiazole
CID 34246919

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(thieno[3,2-d]pyrimidin-4-ylsulfanylmethyl)-1,2-oxazole?
The IUPAC name of 5-methyl-3-(thieno[3,2-d]pyrimidin-4-ylsulfanylmethyl)-1,2-oxazole (CID 34253828) is 5-methyl-3-(thieno[3,2-d]pyrimidin-4-ylsulfanylmethyl)-1,2-oxazole.
What is the SMILES notation for 5-methyl-3-(thieno[3,2-d]pyrimidin-4-ylsulfanylmethyl)-1,2-oxazole?
The canonical SMILES for 5-methyl-3-(thieno[3,2-d]pyrimidin-4-ylsulfanylmethyl)-1,2-oxazole is Cc1cc(CSc2ncnc3ccsc23)no1.
What is the InChIKey of 5-methyl-3-(thieno[3,2-d]pyrimidin-4-ylsulfanylmethyl)-1,2-oxazole?
The InChIKey is FKLJIZGCCGGDIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3OS2/c1-7-4-8(14-15-7)5-17-11-10-9(2-3-16-10)12-6-13-11/h2-4,6H,5H2,1H3.
What are the key properties of 5-methyl-3-(thieno[3,2-d]pyrimidin-4-ylsulfanylmethyl)-1,2-oxazole?
5-methyl-3-(thieno[3,2-d]pyrimidin-4-ylsulfanylmethyl)-1,2-oxazole has a molecular weight of 263.35 g/mol, XLogP of 3.28, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(thieno[3,2-d]pyrimidin-4-ylsulfanylmethyl)-1,2-oxazole is sourced from PubChem (CID 34253828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).