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

C12H11N3OS2 — CID 2372536

IUPAC3,5-dimethyl-4-(thieno[2,3-d]pyrimidin-4-ylsulfanylmethyl)-1,2-oxazole
SMILESCc1noc(C)c1CSc1ncnc2sccc12
InChIInChI=1S/C12H11N3OS2/c1-7-10(8(2)16-15-7)5-18-12-9-3-4-17-11(9)13-6-14-12/h3-4,6H,5H2,1-2H3
InChIKeyOMNBJHPUQCVEHZ-UHFFFAOYSA-N
MW277.37 g/mol
LogP3.59
Rot. Bonds3

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

3,5-dimethyl-4-(thieno[2,3-d]pyrimidin-4-ylsulfanylmethyl)-1,2-oxazole (PubChem CID 2372536) has the molecular formula C12H11N3OS2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 3,5-dimethyl-4-(thieno[2,3-d]pyrimidin-4-ylsulfanylmethyl)-1,2-oxazole.

Molecular Properties

Compound Name3,5-dimethyl-4-(thieno[2,3-d]pyrimidin-4-ylsulfanylmethyl)-1,2-oxazole
PubChem CID2372536
Molecular FormulaC12H11N3OS2
Molecular Weight277.37 g/mol
Exact Mass277.03
IUPAC Name3,5-dimethyl-4-(thieno[2,3-d]pyrimidin-4-ylsulfanylmethyl)-1,2-oxazole
SMILESCc1noc(C)c1CSc1ncnc2sccc12
InChIInChI=1S/C12H11N3OS2/c1-7-10(8(2)16-15-7)5-18-12-9-3-4-17-11(9)13-6-14-12/h3-4,6H,5H2,1-2H3
InChIKeyOMNBJHPUQCVEHZ-UHFFFAOYSA-N
XLogP3.59
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(((5,6-Dimethylthieno[2,3-d]pyrimidin-4-yl)thio)methyl)-3,5-dimethylisoxazole
CID 704147
6-[(3,5-Dimethylisoxazol-4-yl)methylthio]-4-methylpyrimidine
CID 16876399
4-{[(3,5-dimethyl-4-isoxazolyl)methyl]sulfanyl}-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidine
CID 829569
4-{[(3,5-Dimethyl-1,2-oxazol-4-yl)methyl]sulfanyl}-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine
CID 3577161
4-(((5-(4-Fluorophenyl)thieno[2,3-d]pyrimidin-4-yl)thio)methyl)-3,5-dimethylisoxazole
CID 1278629
12-{[(3,5-Dimethyl-1,2-oxazol-4-yl)methyl]sulfanyl}-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(12),2(6),8,10-tetraene
CID 727608
4-(((5-(3,4-Dimethylphenyl)thieno[2,3-d]pyrimidin-4-yl)thio)methyl)-3,5-dimethylisoxazole
CID 1277323
(3,5-Dimethyl-1,2-oxazol-4-yl)methyl 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate
CID 4882700
3,5-Dimethyl-4-(thieno[2,3-d]pyrimidin-4-yloxy)isoxazole
CID 57971573
N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 137972670
4-[[6-(4-Fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]sulfanylmethyl]-3,5-dimethyl-1,2-oxazole
CID 7468829
5-(4-Fluorophenyl)-4-methyl-3-(thieno[2,3-d]pyrimidin-4-ylsulfanylmethyl)-1,2-oxazole
CID 8845039

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-(thieno[2,3-d]pyrimidin-4-ylsulfanylmethyl)-1,2-oxazole?
The IUPAC name of 3,5-dimethyl-4-(thieno[2,3-d]pyrimidin-4-ylsulfanylmethyl)-1,2-oxazole (CID 2372536) is 3,5-dimethyl-4-(thieno[2,3-d]pyrimidin-4-ylsulfanylmethyl)-1,2-oxazole.
What is the SMILES notation for 3,5-dimethyl-4-(thieno[2,3-d]pyrimidin-4-ylsulfanylmethyl)-1,2-oxazole?
The canonical SMILES for 3,5-dimethyl-4-(thieno[2,3-d]pyrimidin-4-ylsulfanylmethyl)-1,2-oxazole is Cc1noc(C)c1CSc1ncnc2sccc12.
What is the InChIKey of 3,5-dimethyl-4-(thieno[2,3-d]pyrimidin-4-ylsulfanylmethyl)-1,2-oxazole?
The InChIKey is OMNBJHPUQCVEHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3OS2/c1-7-10(8(2)16-15-7)5-18-12-9-3-4-17-11(9)13-6-14-12/h3-4,6H,5H2,1-2H3.
What are the key properties of 3,5-dimethyl-4-(thieno[2,3-d]pyrimidin-4-ylsulfanylmethyl)-1,2-oxazole?
3,5-dimethyl-4-(thieno[2,3-d]pyrimidin-4-ylsulfanylmethyl)-1,2-oxazole has a molecular weight of 277.37 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-(thieno[2,3-d]pyrimidin-4-ylsulfanylmethyl)-1,2-oxazole is sourced from PubChem (CID 2372536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).