4-(4-ethyl-5-thieno[3,2-d]pyrimidin-4-ylsulfanyl-1,2,4-triazol-3-yl)morpholine

C14H16N6OS2 — CID 24671449

IUPAC4-(4-ethyl-5-thieno[3,2-d]pyrimidin-4-ylsulfanyl-1,2,4-triazol-3-yl)morpholine
SMILESCCn1c(Sc2ncnc3ccsc23)nnc1N1CCOCC1
InChIInChI=1S/C14H16N6OS2/c1-2-20-13(19-4-6-21-7-5-19)17-18-14(20)23-12-11-10(3-8-22-11)15-9-16-12/h3,8-9H,2,4-7H2,1H3
InChIKeyYVCIVZQLBXIPBM-UHFFFAOYSA-N
MW348.46 g/mol
LogP2.29
Rot. Bonds4

About 4-(4-ethyl-5-thieno[3,2-d]pyrimidin-4-ylsulfanyl-1,2,4-triazol-3-yl)morpholine

4-(4-ethyl-5-thieno[3,2-d]pyrimidin-4-ylsulfanyl-1,2,4-triazol-3-yl)morpholine (PubChem CID 24671449) has the molecular formula C14H16N6OS2 and a molecular weight of 348.46 g/mol. Its IUPAC name is 4-(4-ethyl-5-thieno[3,2-d]pyrimidin-4-ylsulfanyl-1,2,4-triazol-3-yl)morpholine.

Molecular Properties

Compound Name4-(4-ethyl-5-thieno[3,2-d]pyrimidin-4-ylsulfanyl-1,2,4-triazol-3-yl)morpholine
PubChem CID24671449
Molecular FormulaC14H16N6OS2
Molecular Weight348.46 g/mol
Exact Mass348.08
IUPAC Name4-(4-ethyl-5-thieno[3,2-d]pyrimidin-4-ylsulfanyl-1,2,4-triazol-3-yl)morpholine
SMILESCCn1c(Sc2ncnc3ccsc23)nnc1N1CCOCC1
InChIInChI=1S/C14H16N6OS2/c1-2-20-13(19-4-6-21-7-5-19)17-18-14(20)23-12-11-10(3-8-22-11)15-9-16-12/h3,8-9H,2,4-7H2,1H3
InChIKeyYVCIVZQLBXIPBM-UHFFFAOYSA-N
XLogP2.29
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.46
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-(4-ethyl-5-thieno[3,2-d]pyrimidin-4-ylsulfanyl-1,2,4-triazol-3-yl)morpholine?
The IUPAC name of 4-(4-ethyl-5-thieno[3,2-d]pyrimidin-4-ylsulfanyl-1,2,4-triazol-3-yl)morpholine (CID 24671449) is 4-(4-ethyl-5-thieno[3,2-d]pyrimidin-4-ylsulfanyl-1,2,4-triazol-3-yl)morpholine.
What is the SMILES notation for 4-(4-ethyl-5-thieno[3,2-d]pyrimidin-4-ylsulfanyl-1,2,4-triazol-3-yl)morpholine?
The canonical SMILES for 4-(4-ethyl-5-thieno[3,2-d]pyrimidin-4-ylsulfanyl-1,2,4-triazol-3-yl)morpholine is CCn1c(Sc2ncnc3ccsc23)nnc1N1CCOCC1.
What is the InChIKey of 4-(4-ethyl-5-thieno[3,2-d]pyrimidin-4-ylsulfanyl-1,2,4-triazol-3-yl)morpholine?
The InChIKey is YVCIVZQLBXIPBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6OS2/c1-2-20-13(19-4-6-21-7-5-19)17-18-14(20)23-12-11-10(3-8-22-11)15-9-16-12/h3,8-9H,2,4-7H2,1H3.
What are the key properties of 4-(4-ethyl-5-thieno[3,2-d]pyrimidin-4-ylsulfanyl-1,2,4-triazol-3-yl)morpholine?
4-(4-ethyl-5-thieno[3,2-d]pyrimidin-4-ylsulfanyl-1,2,4-triazol-3-yl)morpholine has a molecular weight of 348.46 g/mol, XLogP of 2.29, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethyl-5-thieno[3,2-d]pyrimidin-4-ylsulfanyl-1,2,4-triazol-3-yl)morpholine is sourced from PubChem (CID 24671449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).