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

C13H17N5O2S — CID 97059631

IUPAC[(2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-(2-methyl-1,3-thiazol-5-yl)methanone
SMILESCCc1nc([C@H]2CN(C(=O)c3cnc(C)s3)CCO2)n[nH]1
InChIInChI=1S/C13H17N5O2S/c1-3-11-15-12(17-16-11)9-7-18(4-5-20-9)13(19)10-6-14-8(2)21-10/h6,9H,3-5,7H2,1-2H3,(H,15,16,17)/t9-/m1/s1
InChIKeyPTJGJWJSSJSFJQ-SECBINFHSA-N
MW307.38 g/mol
LogP1.35
Rot. Bonds3

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

[(2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-(2-methyl-1,3-thiazol-5-yl)methanone (PubChem CID 97059631) has the molecular formula C13H17N5O2S and a molecular weight of 307.38 g/mol. Its IUPAC name is [(2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-(2-methyl-1,3-thiazol-5-yl)methanone.

Molecular Properties

Compound Name[(2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-(2-methyl-1,3-thiazol-5-yl)methanone
PubChem CID97059631
Molecular FormulaC13H17N5O2S
Molecular Weight307.38 g/mol
Exact Mass307.11
IUPAC Name[(2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-(2-methyl-1,3-thiazol-5-yl)methanone
SMILESCCc1nc([C@H]2CN(C(=O)c3cnc(C)s3)CCO2)n[nH]1
InChIInChI=1S/C13H17N5O2S/c1-3-11-15-12(17-16-11)9-7-18(4-5-20-9)13(19)10-6-14-8(2)21-10/h6,9H,3-5,7H2,1-2H3,(H,15,16,17)/t9-/m1/s1
InChIKeyPTJGJWJSSJSFJQ-SECBINFHSA-N
XLogP1.35
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[(2S)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-pyrazin-2-ylmethanone
CID 96996948
(1,5-dimethylpyrazol-4-yl)-[(2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
CID 97059633
5-[(2S)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholine-4-carbonyl]thiophene-3-carboxamide
CID 96996894
5-[(2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholine-4-carbonyl]thiophene-3-carboxamide
CID 96996895
[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-(1H-imidazol-5-yl)methanone
CID 71872925
(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
[2-(hydroxymethyl)morpholin-4-yl]-(2-methyl-1,3-thiazol-5-yl)methanone
CID 103804091
(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
(2S)-4-(2-methyl-1,3-thiazole-5-carbonyl)morpholine-2-carboxylic acid
CID 129397501
[(3S)-3,4-dihydro-2H-chromen-3-yl]-[(2S)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
CID 97059556

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-(2-methyl-1,3-thiazol-5-yl)methanone?
The IUPAC name of [(2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-(2-methyl-1,3-thiazol-5-yl)methanone (CID 97059631) is [(2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-(2-methyl-1,3-thiazol-5-yl)methanone.
What is the SMILES notation for [(2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-(2-methyl-1,3-thiazol-5-yl)methanone?
The canonical SMILES for [(2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-(2-methyl-1,3-thiazol-5-yl)methanone is CCc1nc([C@H]2CN(C(=O)c3cnc(C)s3)CCO2)n[nH]1.
What is the InChIKey of [(2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-(2-methyl-1,3-thiazol-5-yl)methanone?
The InChIKey is PTJGJWJSSJSFJQ-SECBINFHSA-N. The full InChI is InChI=1S/C13H17N5O2S/c1-3-11-15-12(17-16-11)9-7-18(4-5-20-9)13(19)10-6-14-8(2)21-10/h6,9H,3-5,7H2,1-2H3,(H,15,16,17)/t9-/m1/s1.
What are the key properties of [(2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-(2-methyl-1,3-thiazol-5-yl)methanone?
[(2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-(2-methyl-1,3-thiazol-5-yl)methanone has a molecular weight of 307.38 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-(2-methyl-1,3-thiazol-5-yl)methanone is sourced from PubChem (CID 97059631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).