1-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-2-thiophen-2-ylethanone

C14H18N4O2S — CID 71928762

IUPAC1-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-2-thiophen-2-ylethanone
SMILESCCc1nc(C2CN(C(=O)Cc3cccs3)CCO2)n[nH]1
InChIInChI=1S/C14H18N4O2S/c1-2-12-15-14(17-16-12)11-9-18(5-6-20-11)13(19)8-10-4-3-7-21-10/h3-4,7,11H,2,5-6,8-9H2,1H3,(H,15,16,17)
InChIKeyVLIVZZYADMUDFQ-UHFFFAOYSA-N
MW306.39 g/mol
LogP1.57
Rot. Bonds4

About 1-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-2-thiophen-2-ylethanone

1-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-2-thiophen-2-ylethanone (PubChem CID 71928762) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is 1-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-2-thiophen-2-ylethanone.

Molecular Properties

Compound Name1-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-2-thiophen-2-ylethanone
PubChem CID71928762
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC Name1-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-2-thiophen-2-ylethanone
SMILESCCc1nc(C2CN(C(=O)Cc3cccs3)CCO2)n[nH]1
InChIInChI=1S/C14H18N4O2S/c1-2-12-15-14(17-16-12)11-9-18(5-6-20-11)13(19)8-10-4-3-7-21-10/h3-4,7,11H,2,5-6,8-9H2,1H3,(H,15,16,17)
InChIKeyVLIVZZYADMUDFQ-UHFFFAOYSA-N
XLogP1.57
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-2-thiophen-2-ylethanone?
The IUPAC name of 1-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-2-thiophen-2-ylethanone (CID 71928762) is 1-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-2-thiophen-2-ylethanone.
What is the SMILES notation for 1-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-2-thiophen-2-ylethanone?
The canonical SMILES for 1-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-2-thiophen-2-ylethanone is CCc1nc(C2CN(C(=O)Cc3cccs3)CCO2)n[nH]1.
What is the InChIKey of 1-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-2-thiophen-2-ylethanone?
The InChIKey is VLIVZZYADMUDFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2S/c1-2-12-15-14(17-16-12)11-9-18(5-6-20-11)13(19)8-10-4-3-7-21-10/h3-4,7,11H,2,5-6,8-9H2,1H3,(H,15,16,17).
What are the key properties of 1-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-2-thiophen-2-ylethanone?
1-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-2-thiophen-2-ylethanone has a molecular weight of 306.39 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-2-thiophen-2-ylethanone is sourced from PubChem (CID 71928762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).