5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone

C16H20N4O2S — CID 71928822

IUPAC5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
SMILESCCc1nc(C2CN(C(=O)c3cc4c(s3)CCC4)CCO2)n[nH]1
InChIInChI=1S/C16H20N4O2S/c1-2-14-17-15(19-18-14)11-9-20(6-7-22-11)16(21)13-8-10-4-3-5-12(10)23-13/h8,11H,2-7,9H2,1H3,(H,17,18,19)
InChIKeyYYUILBVTLZNTLJ-UHFFFAOYSA-N
MW332.43 g/mol
LogP2.13
Rot. Bonds3

About 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone

5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone (PubChem CID 71928822) has the molecular formula C16H20N4O2S and a molecular weight of 332.43 g/mol. Its IUPAC name is 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
PubChem CID71928822
Molecular FormulaC16H20N4O2S
Molecular Weight332.43 g/mol
Exact Mass332.13
IUPAC Name5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
SMILESCCc1nc(C2CN(C(=O)c3cc4c(s3)CCC4)CCO2)n[nH]1
InChIInChI=1S/C16H20N4O2S/c1-2-14-17-15(19-18-14)11-9-20(6-7-22-11)16(21)13-8-10-4-3-5-12(10)23-13/h8,11H,2-7,9H2,1H3,(H,17,18,19)
InChIKeyYYUILBVTLZNTLJ-UHFFFAOYSA-N
XLogP2.13
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone?
The IUPAC name of 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone (CID 71928822) is 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone.
What is the SMILES notation for 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone?
The canonical SMILES for 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone is CCc1nc(C2CN(C(=O)c3cc4c(s3)CCC4)CCO2)n[nH]1.
What is the InChIKey of 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone?
The InChIKey is YYUILBVTLZNTLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2S/c1-2-14-17-15(19-18-14)11-9-20(6-7-22-11)16(21)13-8-10-4-3-5-12(10)23-13/h8,11H,2-7,9H2,1H3,(H,17,18,19).
What are the key properties of 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone?
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone has a molecular weight of 332.43 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone is sourced from PubChem (CID 71928822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).