azepan-1-yl-[3-[2-(dimethylamino)-1,3-thiazol-4-yl]-4-methoxyphenyl]methanone

C19H25N3O2S — CID 91958331

IUPACazepan-1-yl-[3-[2-(dimethylamino)-1,3-thiazol-4-yl]-4-methoxyphenyl]methanone
SMILESCOc1ccc(C(=O)N2CCCCCC2)cc1-c1csc(N(C)C)n1
InChIInChI=1S/C19H25N3O2S/c1-21(2)19-20-16(13-25-19)15-12-14(8-9-17(15)24-3)18(23)22-10-6-4-5-7-11-22/h8-9,12-13H,4-7,10-11H2,1-3H3
InChIKeyLXIPLWNHDJFOJQ-UHFFFAOYSA-N
MW359.50 g/mol
LogP3.90
Rot. Bonds4

About azepan-1-yl-[3-[2-(dimethylamino)-1,3-thiazol-4-yl]-4-methoxyphenyl]methanone

azepan-1-yl-[3-[2-(dimethylamino)-1,3-thiazol-4-yl]-4-methoxyphenyl]methanone (PubChem CID 91958331) has the molecular formula C19H25N3O2S and a molecular weight of 359.50 g/mol. Its IUPAC name is azepan-1-yl-[3-[2-(dimethylamino)-1,3-thiazol-4-yl]-4-methoxyphenyl]methanone.

Molecular Properties

Compound Nameazepan-1-yl-[3-[2-(dimethylamino)-1,3-thiazol-4-yl]-4-methoxyphenyl]methanone
PubChem CID91958331
Molecular FormulaC19H25N3O2S
Molecular Weight359.50 g/mol
Exact Mass359.17
IUPAC Nameazepan-1-yl-[3-[2-(dimethylamino)-1,3-thiazol-4-yl]-4-methoxyphenyl]methanone
SMILESCOc1ccc(C(=O)N2CCCCCC2)cc1-c1csc(N(C)C)n1
InChIInChI=1S/C19H25N3O2S/c1-21(2)19-20-16(13-25-19)15-12-14(8-9-17(15)24-3)18(23)22-10-6-4-5-7-11-22/h8-9,12-13H,4-7,10-11H2,1-3H3
InChIKeyLXIPLWNHDJFOJQ-UHFFFAOYSA-N
XLogP3.90
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-hydroxypiperidin-1-yl)-[4-methoxy-3-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]methanone
CID 91958350
azocan-1-yl-(3-fluoro-4-methoxyphenyl)methanone
CID 86906608
(3-ethyl-4-methoxyphenyl)-piperidin-1-ylmethanone
CID 110761899
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 24534942
(3,4-dimethoxyphenyl)-pyrrolidin-1-ylmethanone;N-methoxy-N-methylformamide
CID 144580065
1-(4-methoxy-3-pyridin-2-ylbenzoyl)piperidine-3-carboxylic acid
CID 120512544
N-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]azocane-1-carboxamide
CID 71935966
[3-(4-methoxyphenoxy)-4-(4-methoxyphenyl)phenyl]-piperidin-1-ylmethanone
CID 23264012
(4-iodo-3-methoxyphenyl)-pyrrolidin-1-ylmethanone
CID 155908718
azocan-1-yl-[3-methoxy-4-(2-methylpropoxy)phenyl]methanone
CID 112793157
[3-[3-hydroxy-5-imino-4-(4-phenyl-1,3-thiazol-2-yl)-2H-pyrrol-1-yl]-4-methoxyphenyl]-piperidin-1-ylmethanone
CID 135637110
(4-methoxyphenyl)-pyrrolidin-1-yl(111C)methanone
CID 10976580

Frequently Asked Questions

What is the IUPAC name of azepan-1-yl-[3-[2-(dimethylamino)-1,3-thiazol-4-yl]-4-methoxyphenyl]methanone?
The IUPAC name of azepan-1-yl-[3-[2-(dimethylamino)-1,3-thiazol-4-yl]-4-methoxyphenyl]methanone (CID 91958331) is azepan-1-yl-[3-[2-(dimethylamino)-1,3-thiazol-4-yl]-4-methoxyphenyl]methanone.
What is the SMILES notation for azepan-1-yl-[3-[2-(dimethylamino)-1,3-thiazol-4-yl]-4-methoxyphenyl]methanone?
The canonical SMILES for azepan-1-yl-[3-[2-(dimethylamino)-1,3-thiazol-4-yl]-4-methoxyphenyl]methanone is COc1ccc(C(=O)N2CCCCCC2)cc1-c1csc(N(C)C)n1.
What is the InChIKey of azepan-1-yl-[3-[2-(dimethylamino)-1,3-thiazol-4-yl]-4-methoxyphenyl]methanone?
The InChIKey is LXIPLWNHDJFOJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2S/c1-21(2)19-20-16(13-25-19)15-12-14(8-9-17(15)24-3)18(23)22-10-6-4-5-7-11-22/h8-9,12-13H,4-7,10-11H2,1-3H3.
What are the key properties of azepan-1-yl-[3-[2-(dimethylamino)-1,3-thiazol-4-yl]-4-methoxyphenyl]methanone?
azepan-1-yl-[3-[2-(dimethylamino)-1,3-thiazol-4-yl]-4-methoxyphenyl]methanone has a molecular weight of 359.50 g/mol, XLogP of 3.90, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl-[3-[2-(dimethylamino)-1,3-thiazol-4-yl]-4-methoxyphenyl]methanone is sourced from PubChem (CID 91958331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).