[4-(dimethylamino)-4-methylpiperidin-1-yl]-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methanone

C19H25N3OS — CID 126830359

IUPAC[4-(dimethylamino)-4-methylpiperidin-1-yl]-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methanone
SMILESCc1nc(-c2ccc(C(=O)N3CCC(C)(N(C)C)CC3)cc2)cs1
InChIInChI=1S/C19H25N3OS/c1-14-20-17(13-24-14)15-5-7-16(8-6-15)18(23)22-11-9-19(2,10-12-22)21(3)4/h5-8,13H,9-12H2,1-4H3
InChIKeyUCKIZLFNZMMFDY-UHFFFAOYSA-N
MW343.50 g/mol
LogP3.67
Rot. Bonds3

About [4-(dimethylamino)-4-methylpiperidin-1-yl]-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methanone

[4-(dimethylamino)-4-methylpiperidin-1-yl]-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methanone (PubChem CID 126830359) has the molecular formula C19H25N3OS and a molecular weight of 343.50 g/mol. Its IUPAC name is [4-(dimethylamino)-4-methylpiperidin-1-yl]-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methanone.

Molecular Properties

Compound Name[4-(dimethylamino)-4-methylpiperidin-1-yl]-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methanone
PubChem CID126830359
Molecular FormulaC19H25N3OS
Molecular Weight343.50 g/mol
Exact Mass343.17
IUPAC Name[4-(dimethylamino)-4-methylpiperidin-1-yl]-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methanone
SMILESCc1nc(-c2ccc(C(=O)N3CCC(C)(N(C)C)CC3)cc2)cs1
InChIInChI=1S/C19H25N3OS/c1-14-20-17(13-24-14)15-5-7-16(8-6-15)18(23)22-11-9-19(2,10-12-22)21(3)4/h5-8,13H,9-12H2,1-4H3
InChIKeyUCKIZLFNZMMFDY-UHFFFAOYSA-N
XLogP3.67
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.50
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-(dimethylamino)-4-methylpiperidin-1-yl]-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methanone with MolForge

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Related Compounds

[4-(3-chlorophenyl)piperazin-1-yl]-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methanone
CID 53037588
ethane;[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-piperazin-1-ylmethanone
CID 143900231
[(8S)-8-hydroxy-5-azaspiro[3.5]nonan-5-yl]-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methanone
CID 129347628
N-hydroxy-4-(2-methyl-1,3-thiazol-4-yl)benzamide
CID 167927329
3-fluoro-1-[3-(2-methyl-1,3-thiazol-4-yl)benzoyl]pyrrolidine-3-carboxylic acid
CID 119259285
(4-chlorophenyl)-[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]piperazin-1-yl]methanone
CID 45076516
[4-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]-pyrrolidin-1-ylmethanone
CID 53037742
(4-hydroxy-4-methylpiperidin-1-yl)-(2-methyl-1,3-thiazol-4-yl)methanone
CID 80707453
4-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidine-1-carbonyl]benzamide
CID 165420028
N-[4-[[methyl(1,2,3,4,6,7,8,9-octahydroquinolizin-9a-yl)amino]methoxy]phenyl]-4-(2-methyl-1,3-thiazol-4-yl)benzamide
CID 143182244
[4-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]phenyl]-pyrrolidin-1-ylmethanone
CID 86855864
(4,4-difluoropiperidin-1-yl)-[4-[6-(dimethylamino)pyrazin-2-yl]phenyl]methanone
CID 122563535

Frequently Asked Questions

What is the IUPAC name of [4-(dimethylamino)-4-methylpiperidin-1-yl]-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methanone?
The IUPAC name of [4-(dimethylamino)-4-methylpiperidin-1-yl]-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methanone (CID 126830359) is [4-(dimethylamino)-4-methylpiperidin-1-yl]-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methanone.
What is the SMILES notation for [4-(dimethylamino)-4-methylpiperidin-1-yl]-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methanone?
The canonical SMILES for [4-(dimethylamino)-4-methylpiperidin-1-yl]-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methanone is Cc1nc(-c2ccc(C(=O)N3CCC(C)(N(C)C)CC3)cc2)cs1.
What is the InChIKey of [4-(dimethylamino)-4-methylpiperidin-1-yl]-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methanone?
The InChIKey is UCKIZLFNZMMFDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3OS/c1-14-20-17(13-24-14)15-5-7-16(8-6-15)18(23)22-11-9-19(2,10-12-22)21(3)4/h5-8,13H,9-12H2,1-4H3.
What are the key properties of [4-(dimethylamino)-4-methylpiperidin-1-yl]-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methanone?
[4-(dimethylamino)-4-methylpiperidin-1-yl]-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methanone has a molecular weight of 343.50 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(dimethylamino)-4-methylpiperidin-1-yl]-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methanone is sourced from PubChem (CID 126830359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).