2-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-N-(1,3-thiazol-2-yl)propanamide

C14H20N6O2S — CID 71928098

IUPAC2-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-N-(1,3-thiazol-2-yl)propanamide
SMILESCCc1nc(C2CN(C(C)C(=O)Nc3nccs3)CCO2)n[nH]1
InChIInChI=1S/C14H20N6O2S/c1-3-11-16-12(19-18-11)10-8-20(5-6-22-10)9(2)13(21)17-14-15-4-7-23-14/h4,7,9-10H,3,5-6,8H2,1-2H3,(H,15,17,21)(H,16,18,19)
InChIKeyHTYIGXGPDHIBJN-UHFFFAOYSA-N
MW336.42 g/mol
LogP1.22
Rot. Bonds5

About 2-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-N-(1,3-thiazol-2-yl)propanamide

2-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 71928098) has the molecular formula C14H20N6O2S and a molecular weight of 336.42 g/mol. Its IUPAC name is 2-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name2-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-N-(1,3-thiazol-2-yl)propanamide
PubChem CID71928098
Molecular FormulaC14H20N6O2S
Molecular Weight336.42 g/mol
Exact Mass336.14
IUPAC Name2-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-N-(1,3-thiazol-2-yl)propanamide
SMILESCCc1nc(C2CN(C(C)C(=O)Nc3nccs3)CCO2)n[nH]1
InChIInChI=1S/C14H20N6O2S/c1-3-11-16-12(19-18-11)10-8-20(5-6-22-10)9(2)13(21)17-14-15-4-7-23-14/h4,7,9-10H,3,5-6,8H2,1-2H3,(H,15,17,21)(H,16,18,19)
InChIKeyHTYIGXGPDHIBJN-UHFFFAOYSA-N
XLogP1.22
TPSA96.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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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-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of 2-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-N-(1,3-thiazol-2-yl)propanamide (CID 71928098) is 2-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 2-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 2-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-N-(1,3-thiazol-2-yl)propanamide is CCc1nc(C2CN(C(C)C(=O)Nc3nccs3)CCO2)n[nH]1.
What is the InChIKey of 2-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is HTYIGXGPDHIBJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O2S/c1-3-11-16-12(19-18-11)10-8-20(5-6-22-10)9(2)13(21)17-14-15-4-7-23-14/h4,7,9-10H,3,5-6,8H2,1-2H3,(H,15,17,21)(H,16,18,19).
What are the key properties of 2-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-N-(1,3-thiazol-2-yl)propanamide?
2-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 336.42 g/mol, XLogP of 1.22, 5 rotatable bonds, 2 hydrogen bond donors, and 7 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-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 71928098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).