5-[(2S)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholine-4-carbonyl]thiophene-3-carboxamide

C14H17N5O3S — CID 96996894

IUPAC5-[(2S)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholine-4-carbonyl]thiophene-3-carboxamide
SMILESCCc1nc([C@@H]2CN(C(=O)c3cc(C(N)=O)cs3)CCO2)n[nH]1
InChIInChI=1S/C14H17N5O3S/c1-2-11-16-13(18-17-11)9-6-19(3-4-22-9)14(21)10-5-8(7-23-10)12(15)20/h5,7,9H,2-4,6H2,1H3,(H2,15,20)(H,16,17,18)/t9-/m0/s1
InChIKeyNGUKYKKCDLJXHT-VIFPVBQESA-N
MW335.39 g/mol
LogP0.74
Rot. Bonds4

About 5-[(2S)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholine-4-carbonyl]thiophene-3-carboxamide

5-[(2S)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholine-4-carbonyl]thiophene-3-carboxamide (PubChem CID 96996894) has the molecular formula C14H17N5O3S and a molecular weight of 335.39 g/mol. Its IUPAC name is 5-[(2S)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholine-4-carbonyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-[(2S)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholine-4-carbonyl]thiophene-3-carboxamide
PubChem CID96996894
Molecular FormulaC14H17N5O3S
Molecular Weight335.39 g/mol
Exact Mass335.11
IUPAC Name5-[(2S)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholine-4-carbonyl]thiophene-3-carboxamide
SMILESCCc1nc([C@@H]2CN(C(=O)c3cc(C(N)=O)cs3)CCO2)n[nH]1
InChIInChI=1S/C14H17N5O3S/c1-2-11-16-13(18-17-11)9-6-19(3-4-22-9)14(21)10-5-8(7-23-10)12(15)20/h5,7,9H,2-4,6H2,1H3,(H2,15,20)(H,16,17,18)/t9-/m0/s1
InChIKeyNGUKYKKCDLJXHT-VIFPVBQESA-N
XLogP0.74
TPSA114.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholine-4-carbonyl]thiophene-3-carboxamide
CID 96996895
[(2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-(2-methyl-1,3-thiazol-5-yl)methanone
CID 97059631
[(2S)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-pyrazin-2-ylmethanone
CID 96996948
(1,3-dimethylpyrazol-4-yl)-[(2S)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
CID 96996940
[(2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-(1H-pyrrol-2-yl)methanone
CID 124607635
(4-chloro-1H-pyrrol-2-yl)-[(2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
CID 96996893
(4-chloro-1H-pyrrol-2-yl)-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
CID 71928757
[(2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-(1-methylbenzotriazol-5-yl)methanone
CID 96996923
[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-(1H-imidazol-5-yl)methanone
CID 71872925
(1,5-dimethylpyrazol-4-yl)-[(2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
CID 97059633
2-cyclopent-2-en-1-yl-1-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]ethanone
CID 71928809
5-[(3S)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidine-1-carbonyl]thiophene-3-carboxamide
CID 95734857

Frequently Asked Questions

What is the IUPAC name of 5-[(2S)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholine-4-carbonyl]thiophene-3-carboxamide?
The IUPAC name of 5-[(2S)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholine-4-carbonyl]thiophene-3-carboxamide (CID 96996894) is 5-[(2S)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholine-4-carbonyl]thiophene-3-carboxamide.
What is the SMILES notation for 5-[(2S)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholine-4-carbonyl]thiophene-3-carboxamide?
The canonical SMILES for 5-[(2S)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholine-4-carbonyl]thiophene-3-carboxamide is CCc1nc([C@@H]2CN(C(=O)c3cc(C(N)=O)cs3)CCO2)n[nH]1.
What is the InChIKey of 5-[(2S)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholine-4-carbonyl]thiophene-3-carboxamide?
The InChIKey is NGUKYKKCDLJXHT-VIFPVBQESA-N. The full InChI is InChI=1S/C14H17N5O3S/c1-2-11-16-13(18-17-11)9-6-19(3-4-22-9)14(21)10-5-8(7-23-10)12(15)20/h5,7,9H,2-4,6H2,1H3,(H2,15,20)(H,16,17,18)/t9-/m0/s1.
What are the key properties of 5-[(2S)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholine-4-carbonyl]thiophene-3-carboxamide?
5-[(2S)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholine-4-carbonyl]thiophene-3-carboxamide has a molecular weight of 335.39 g/mol, XLogP of 0.74, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholine-4-carbonyl]thiophene-3-carboxamide is sourced from PubChem (CID 96996894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).