4-[[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]sulfanylmethyl]-3,5-dimethyl-1,2-oxazole

C18H14FN3OS2 — CID 7468829

IUPAC4-[[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]sulfanylmethyl]-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1CSc1ncnc2cc(-c3ccc(F)cc3)sc12
InChIInChI=1S/C18H14FN3OS2/c1-10-14(11(2)23-22-10)8-24-18-17-15(20-9-21-18)7-16(25-17)12-3-5-13(19)6-4-12/h3-7,9H,8H2,1-2H3
InChIKeyAZOLMLITTJQXKB-UHFFFAOYSA-N
MW371.46 g/mol
LogP5.39
Rot. Bonds4

About 4-[[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]sulfanylmethyl]-3,5-dimethyl-1,2-oxazole

4-[[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]sulfanylmethyl]-3,5-dimethyl-1,2-oxazole (PubChem CID 7468829) has the molecular formula C18H14FN3OS2 and a molecular weight of 371.46 g/mol. Its IUPAC name is 4-[[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]sulfanylmethyl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-[[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]sulfanylmethyl]-3,5-dimethyl-1,2-oxazole
PubChem CID7468829
Molecular FormulaC18H14FN3OS2
Molecular Weight371.46 g/mol
Exact Mass371.06
IUPAC Name4-[[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]sulfanylmethyl]-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1CSc1ncnc2cc(-c3ccc(F)cc3)sc12
InChIInChI=1S/C18H14FN3OS2/c1-10-14(11(2)23-22-10)8-24-18-17-15(20-9-21-18)7-16(25-17)12-3-5-13(19)6-4-12/h3-7,9H,8H2,1-2H3
InChIKeyAZOLMLITTJQXKB-UHFFFAOYSA-N
XLogP5.39
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.46
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]sulfanylmethyl]-3,5-dimethyl-1,2-oxazole with MolForge

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Related Compounds

4-(((5,6-Dimethylthieno[2,3-d]pyrimidin-4-yl)thio)methyl)-3,5-dimethylisoxazole
CID 704147
4-{[(3,5-dimethyl-4-isoxazolyl)methyl]sulfanyl}-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidine
CID 829569
3,5-Dimethyl-4-(quinazolin-4-ylsulfanylmethyl)-1,2-oxazole
CID 2410091
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
6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-methylsulfanylphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 172458257
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-4-(thieno[2,3-d]pyrimidin-4-ylsulfanylmethyl)-1,2-oxazole
CID 2372536
3-(7-Thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-ylsulfanylmethyl)-1,2-oxazole
CID 2573698
N-[2-(3,5-Dimethyl-4-isoxazolyl)ethyl]-2-[(9-fluoro[1]benzothieno[3,2-D]pyrimidin-4-YL)sulfanyl]acetamide
CID 50783011
2-(3,5-dimethyl-1,2-oxazol-4-yl)-9-thiophen-3-yl-N-[[3-(trifluoromethyl)phenyl]methyl]purin-6-amine
CID 117086012

Frequently Asked Questions

What is the IUPAC name of 4-[[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]sulfanylmethyl]-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-[[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]sulfanylmethyl]-3,5-dimethyl-1,2-oxazole (CID 7468829) is 4-[[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]sulfanylmethyl]-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-[[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]sulfanylmethyl]-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-[[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]sulfanylmethyl]-3,5-dimethyl-1,2-oxazole is Cc1noc(C)c1CSc1ncnc2cc(-c3ccc(F)cc3)sc12.
What is the InChIKey of 4-[[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]sulfanylmethyl]-3,5-dimethyl-1,2-oxazole?
The InChIKey is AZOLMLITTJQXKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN3OS2/c1-10-14(11(2)23-22-10)8-24-18-17-15(20-9-21-18)7-16(25-17)12-3-5-13(19)6-4-12/h3-7,9H,8H2,1-2H3.
What are the key properties of 4-[[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]sulfanylmethyl]-3,5-dimethyl-1,2-oxazole?
4-[[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]sulfanylmethyl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 371.46 g/mol, XLogP of 5.39, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]sulfanylmethyl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 7468829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).