[(2R)-2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone

C16H20N4O2S — CID 129329530

IUPAC[(2R)-2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone
SMILESCn1cnnc1[C@H]1CN(C(=O)c2csc3c2CCCC3)CCO1
InChIInChI=1S/C16H20N4O2S/c1-19-10-17-18-15(19)13-8-20(6-7-22-13)16(21)12-9-23-14-5-3-2-4-11(12)14/h9-10,13H,2-8H2,1H3/t13-/m1/s1
InChIKeyFSWDXTGYHXYNIQ-CYBMUJFWSA-N
MW332.43 g/mol
LogP1.97
Rot. Bonds2

About [(2R)-2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone

[(2R)-2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone (PubChem CID 129329530) has the molecular formula C16H20N4O2S and a molecular weight of 332.43 g/mol. Its IUPAC name is [(2R)-2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone.

Molecular Properties

Compound Name[(2R)-2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone
PubChem CID129329530
Molecular FormulaC16H20N4O2S
Molecular Weight332.43 g/mol
Exact Mass332.13
IUPAC Name[(2R)-2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone
SMILESCn1cnnc1[C@H]1CN(C(=O)c2csc3c2CCCC3)CCO1
InChIInChI=1S/C16H20N4O2S/c1-19-10-17-18-15(19)13-8-20(6-7-22-13)16(21)12-9-23-14-5-3-2-4-11(12)14/h9-10,13H,2-8H2,1H3/t13-/m1/s1
InChIKeyFSWDXTGYHXYNIQ-CYBMUJFWSA-N
XLogP1.97
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[(2S)-2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone
CID 129329531
2,3-dihydro-1H-inden-5-yl-[(2R)-2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
CID 129329680
(4-tert-butyl-1,3-thiazol-5-yl)-[(2S)-2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
CID 129338537
(3-methoxy-4-methylphenyl)-[2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
CID 129006421
(3-hydroxypyrrolidin-1-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone
CID 62916760
(4-ethoxyphenyl)-[(2R)-2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
CID 129328081
(5-chloro-2-methoxyphenyl)-[2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
CID 128967021
[3-(methylamino)piperidin-1-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone;hydrochloride
CID 119490114
1-methyl-4-[1-(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)piperidin-4-yl]pyridin-2-one
CID 138381677
(2S)-N-[(2-methylphenyl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)morpholine-4-carboxamide
CID 129328598
methyl 1-(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)piperidine-3-carboxylate
CID 78919650
2,3-dihydro-1H-inden-4-yl-[2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
CID 128998279

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone?
The IUPAC name of [(2R)-2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone (CID 129329530) is [(2R)-2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone.
What is the SMILES notation for [(2R)-2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone?
The canonical SMILES for [(2R)-2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone is Cn1cnnc1[C@H]1CN(C(=O)c2csc3c2CCCC3)CCO1.
What is the InChIKey of [(2R)-2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone?
The InChIKey is FSWDXTGYHXYNIQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H20N4O2S/c1-19-10-17-18-15(19)13-8-20(6-7-22-13)16(21)12-9-23-14-5-3-2-4-11(12)14/h9-10,13H,2-8H2,1H3/t13-/m1/s1.
What are the key properties of [(2R)-2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone?
[(2R)-2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone has a molecular weight of 332.43 g/mol, XLogP of 1.97, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone is sourced from PubChem (CID 129329530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).