2-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-N-[(5-methylthiophen-2-yl)methyl]acetamide

C16H23N5O2S — CID 154749233

IUPAC2-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-N-[(5-methylthiophen-2-yl)methyl]acetamide
SMILESCCc1nc(C2CN(CC(=O)NCc3ccc(C)s3)CCO2)n[nH]1
InChIInChI=1S/C16H23N5O2S/c1-3-14-18-16(20-19-14)13-9-21(6-7-23-13)10-15(22)17-8-12-5-4-11(2)24-12/h4-5,13H,3,6-10H2,1-2H3,(H,17,22)(H,18,19,20)
InChIKeyXTGHMYXRICRSOO-UHFFFAOYSA-N
MW349.46 g/mol
LogP1.43
Rot. Bonds6

About 2-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-N-[(5-methylthiophen-2-yl)methyl]acetamide

2-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-N-[(5-methylthiophen-2-yl)methyl]acetamide (PubChem CID 154749233) has the molecular formula C16H23N5O2S and a molecular weight of 349.46 g/mol. Its IUPAC name is 2-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-N-[(5-methylthiophen-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-N-[(5-methylthiophen-2-yl)methyl]acetamide
PubChem CID154749233
Molecular FormulaC16H23N5O2S
Molecular Weight349.46 g/mol
Exact Mass349.16
IUPAC Name2-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-N-[(5-methylthiophen-2-yl)methyl]acetamide
SMILESCCc1nc(C2CN(CC(=O)NCc3ccc(C)s3)CCO2)n[nH]1
InChIInChI=1S/C16H23N5O2S/c1-3-14-18-16(20-19-14)13-9-21(6-7-23-13)10-15(22)17-8-12-5-4-11(2)24-12/h4-5,13H,3,6-10H2,1-2H3,(H,17,22)(H,18,19,20)
InChIKeyXTGHMYXRICRSOO-UHFFFAOYSA-N
XLogP1.43
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-N-[(5-methylthiophen-2-yl)methyl]acetamide?
The IUPAC name of 2-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-N-[(5-methylthiophen-2-yl)methyl]acetamide (CID 154749233) is 2-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-N-[(5-methylthiophen-2-yl)methyl]acetamide.
What is the SMILES notation for 2-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-N-[(5-methylthiophen-2-yl)methyl]acetamide?
The canonical SMILES for 2-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-N-[(5-methylthiophen-2-yl)methyl]acetamide is CCc1nc(C2CN(CC(=O)NCc3ccc(C)s3)CCO2)n[nH]1.
What is the InChIKey of 2-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-N-[(5-methylthiophen-2-yl)methyl]acetamide?
The InChIKey is XTGHMYXRICRSOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2S/c1-3-14-18-16(20-19-14)13-9-21(6-7-23-13)10-15(22)17-8-12-5-4-11(2)24-12/h4-5,13H,3,6-10H2,1-2H3,(H,17,22)(H,18,19,20).
What are the key properties of 2-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-N-[(5-methylthiophen-2-yl)methyl]acetamide?
2-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-N-[(5-methylthiophen-2-yl)methyl]acetamide has a molecular weight of 349.46 g/mol, XLogP of 1.43, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-N-[(5-methylthiophen-2-yl)methyl]acetamide is sourced from PubChem (CID 154749233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).