[2-(4-methylphenyl)morpholin-4-yl]-(4-propylthiadiazol-5-yl)methanone

C17H21N3O2S — CID 121134787

IUPAC[2-(4-methylphenyl)morpholin-4-yl]-(4-propylthiadiazol-5-yl)methanone
SMILESCCCc1nnsc1C(=O)N1CCOC(c2ccc(C)cc2)C1
InChIInChI=1S/C17H21N3O2S/c1-3-4-14-16(23-19-18-14)17(21)20-9-10-22-15(11-20)13-7-5-12(2)6-8-13/h5-8,15H,3-4,9-11H2,1-2H3
InChIKeyCHTZULCZIBGPCG-UHFFFAOYSA-N
MW331.44 g/mol
LogP3.01
Rot. Bonds4

About [2-(4-methylphenyl)morpholin-4-yl]-(4-propylthiadiazol-5-yl)methanone

[2-(4-methylphenyl)morpholin-4-yl]-(4-propylthiadiazol-5-yl)methanone (PubChem CID 121134787) has the molecular formula C17H21N3O2S and a molecular weight of 331.44 g/mol. Its IUPAC name is [2-(4-methylphenyl)morpholin-4-yl]-(4-propylthiadiazol-5-yl)methanone.

Molecular Properties

Compound Name[2-(4-methylphenyl)morpholin-4-yl]-(4-propylthiadiazol-5-yl)methanone
PubChem CID121134787
Molecular FormulaC17H21N3O2S
Molecular Weight331.44 g/mol
Exact Mass331.14
IUPAC Name[2-(4-methylphenyl)morpholin-4-yl]-(4-propylthiadiazol-5-yl)methanone
SMILESCCCc1nnsc1C(=O)N1CCOC(c2ccc(C)cc2)C1
InChIInChI=1S/C17H21N3O2S/c1-3-4-14-16(23-19-18-14)17(21)20-9-10-22-15(11-20)13-7-5-12(2)6-8-13/h5-8,15H,3-4,9-11H2,1-2H3
InChIKeyCHTZULCZIBGPCG-UHFFFAOYSA-N
XLogP3.01
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-ethylthiadiazol-5-yl)-[(2R)-2-(2-methyl-4-pyridinyl)morpholin-4-yl]methanone
CID 124953555
(2-methyl-4-propyl-1,3-thiazol-5-yl)-(2-phenylmorpholin-4-yl)methanone
CID 75489916
[(2R)-2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-(4-ethylthiadiazol-5-yl)methanone
CID 124940324
(4-ethylthiadiazol-5-yl)-[(2S)-2-(furan-2-yl)morpholin-4-yl]methanone
CID 124609222
(4-ethoxyphenyl)-[2-(4-methylphenyl)morpholin-4-yl]methanone
CID 121134773
[5-(furan-2-yl)-1,2-oxazol-3-yl]-[2-(4-methylphenyl)morpholin-4-yl]methanone
CID 121134791
3,4-dihydro-1H-isoquinolin-2-yl-[4-(4-propylthiadiazole-5-carbonyl)morpholin-2-yl]methanone
CID 110246708
[4-(dimethylamino)phenyl]-[2-(4-methylphenyl)morpholin-4-yl]methanone
CID 121134770
[2-(4-methylphenyl)morpholin-4-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 121134814
1,3-benzothiazol-2-yl-[2-(4-methylphenyl)morpholin-4-yl]methanone
CID 121134792
(2-methoxyphenyl)-[2-(4-methylphenyl)morpholin-4-yl]methanone
CID 110326509
(4-chloropiperidin-1-yl)-(4-propylthiadiazol-5-yl)methanone
CID 65207991

Frequently Asked Questions

What is the IUPAC name of [2-(4-methylphenyl)morpholin-4-yl]-(4-propylthiadiazol-5-yl)methanone?
The IUPAC name of [2-(4-methylphenyl)morpholin-4-yl]-(4-propylthiadiazol-5-yl)methanone (CID 121134787) is [2-(4-methylphenyl)morpholin-4-yl]-(4-propylthiadiazol-5-yl)methanone.
What is the SMILES notation for [2-(4-methylphenyl)morpholin-4-yl]-(4-propylthiadiazol-5-yl)methanone?
The canonical SMILES for [2-(4-methylphenyl)morpholin-4-yl]-(4-propylthiadiazol-5-yl)methanone is CCCc1nnsc1C(=O)N1CCOC(c2ccc(C)cc2)C1.
What is the InChIKey of [2-(4-methylphenyl)morpholin-4-yl]-(4-propylthiadiazol-5-yl)methanone?
The InChIKey is CHTZULCZIBGPCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2S/c1-3-4-14-16(23-19-18-14)17(21)20-9-10-22-15(11-20)13-7-5-12(2)6-8-13/h5-8,15H,3-4,9-11H2,1-2H3.
What are the key properties of [2-(4-methylphenyl)morpholin-4-yl]-(4-propylthiadiazol-5-yl)methanone?
[2-(4-methylphenyl)morpholin-4-yl]-(4-propylthiadiazol-5-yl)methanone has a molecular weight of 331.44 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methylphenyl)morpholin-4-yl]-(4-propylthiadiazol-5-yl)methanone is sourced from PubChem (CID 121134787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).