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

C14H20N6O2S — CID 98791286

IUPAC(2R)-2-[(2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-N-(1,3-thiazol-2-yl)propanamide
SMILESCCc1nc([C@H]2CN([C@H](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)/t9-,10-/m1/s1
InChIKeyHTYIGXGPDHIBJN-NXEZZACHSA-N
MW336.42 g/mol
LogP1.22
Rot. Bonds5

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

(2R)-2-[(2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 98791286) has the molecular formula C14H20N6O2S and a molecular weight of 336.42 g/mol. Its IUPAC name is (2R)-2-[(2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name(2R)-2-[(2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-N-(1,3-thiazol-2-yl)propanamide
PubChem CID98791286
Molecular FormulaC14H20N6O2S
Molecular Weight336.42 g/mol
Exact Mass336.14
IUPAC Name(2R)-2-[(2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-N-(1,3-thiazol-2-yl)propanamide
SMILESCCc1nc([C@H]2CN([C@H](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)/t9-,10-/m1/s1
InChIKeyHTYIGXGPDHIBJN-NXEZZACHSA-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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Related Compounds

2-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-N-(1,3-thiazol-2-yl)propanamide
CID 71928098
(2R)-2-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]-N-(1,3-thiazol-2-yl)propanamide
CID 129426812
(2S)-2-[(2S)-2-(4-chlorophenyl)morpholin-4-yl]-N-(1,3-thiazol-2-yl)propanamide
CID 100842922
(2S)-N-(5-methyl-1,3-thiazol-2-yl)-2-[(2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]propanamide
CID 96510651
2-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-N-(oxolan-2-ylmethyl)propanamide
CID 71928117
[3-(4-propan-2-ylmorpholin-2-yl)-1H-1,2,4-triazol-5-yl]methanol
CID 79662691
(2R)-2-[(2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-2-(4-fluorophenyl)acetamide
CID 100870601
(2S)-2-piperidin-1-yl-N-(1,3-thiazol-2-yl)propanamide
CID 40932668
2-[(2S)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 97059660
2-[3-ethyl-4-(2-hydroxypropyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)propanamide
CID 71878628
(3S)-1-[(2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-3-pyrrol-1-ylbutan-1-one
CID 96996811
2-(5-ethyl-1H-1,2,4-triazol-3-yl)-4-[1-(2-fluorophenyl)ethyl]morpholine
CID 71928126

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of (2R)-2-[(2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-N-(1,3-thiazol-2-yl)propanamide (CID 98791286) is (2R)-2-[(2R)-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 (2R)-2-[(2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for (2R)-2-[(2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-N-(1,3-thiazol-2-yl)propanamide is CCc1nc([C@H]2CN([C@H](C)C(=O)Nc3nccs3)CCO2)n[nH]1.
What is the InChIKey of (2R)-2-[(2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is HTYIGXGPDHIBJN-NXEZZACHSA-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)/t9-,10-/m1/s1.
What are the key properties of (2R)-2-[(2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-N-(1,3-thiazol-2-yl)propanamide?
(2R)-2-[(2R)-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 (2R)-2-[(2R)-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 98791286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).