[4-(diethylamino)piperidin-1-yl]-[2-(2,6-dimethylphenyl)-4-methyl-1,3-thiazol-5-yl]methanone

C22H31N3OS — CID 59337801

IUPAC[4-(diethylamino)piperidin-1-yl]-[2-(2,6-dimethylphenyl)-4-methyl-1,3-thiazol-5-yl]methanone
SMILESCCN(CC)C1CCN(C(=O)c2sc(-c3c(C)cccc3C)nc2C)CC1
InChIInChI=1S/C22H31N3OS/c1-6-24(7-2)18-11-13-25(14-12-18)22(26)20-17(5)23-21(27-20)19-15(3)9-8-10-16(19)4/h8-10,18H,6-7,11-14H2,1-5H3
InChIKeyGSCFXQJRJWFSEF-UHFFFAOYSA-N
MW385.58 g/mol
LogP4.68
Rot. Bonds5

About [4-(diethylamino)piperidin-1-yl]-[2-(2,6-dimethylphenyl)-4-methyl-1,3-thiazol-5-yl]methanone

[4-(diethylamino)piperidin-1-yl]-[2-(2,6-dimethylphenyl)-4-methyl-1,3-thiazol-5-yl]methanone (PubChem CID 59337801) has the molecular formula C22H31N3OS and a molecular weight of 385.58 g/mol. Its IUPAC name is [4-(diethylamino)piperidin-1-yl]-[2-(2,6-dimethylphenyl)-4-methyl-1,3-thiazol-5-yl]methanone.

Molecular Properties

Compound Name[4-(diethylamino)piperidin-1-yl]-[2-(2,6-dimethylphenyl)-4-methyl-1,3-thiazol-5-yl]methanone
PubChem CID59337801
Molecular FormulaC22H31N3OS
Molecular Weight385.58 g/mol
Exact Mass385.22
IUPAC Name[4-(diethylamino)piperidin-1-yl]-[2-(2,6-dimethylphenyl)-4-methyl-1,3-thiazol-5-yl]methanone
SMILESCCN(CC)C1CCN(C(=O)c2sc(-c3c(C)cccc3C)nc2C)CC1
InChIInChI=1S/C22H31N3OS/c1-6-24(7-2)18-11-13-25(14-12-18)22(26)20-17(5)23-21(27-20)19-15(3)9-8-10-16(19)4/h8-10,18H,6-7,11-14H2,1-5H3
InChIKeyGSCFXQJRJWFSEF-UHFFFAOYSA-N
XLogP4.68
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.58
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-(diethylamino)piperidin-1-yl]-[2-(2,6-dimethylphenyl)-4-methyl-1,3-thiazol-5-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[cyclopropylmethyl(propyl)amino]piperidin-1-yl]-[4-methyl-2-(4-methylnaphthalen-1-yl)-1,3-thiazol-5-yl]methanone
CID 59338670
[3-(diethylamino)pyrrolidin-1-yl]-[2-(4-methanimidoyl-3-methylphenyl)-4-methyl-1,3-thiazol-5-yl]methanone
CID 89365797
[4-methyl-2-(2,4,6-trimethylphenyl)-1,3-thiazol-5-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 59338601
(4-methylpiperidin-1-yl)-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)methanone
CID 39080812
2-[1-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]acetic acid
CID 119177854
(3-amino-2-chlorophenyl)-[4-(diethylamino)piperidin-1-yl]methanone
CID 115930393
[4-(diethylamino)piperidin-1-yl]-(6-fluoro-2-pyridinyl)methanone
CID 115497426
ethyl 1-(4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carbonyl)piperidine-4-carboxylate
CID 39080805
[4-(1-aminoethyl)piperidin-1-yl]-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methanone
CID 119517324
(2-amino-4-methylpyrimidin-5-yl)-[4-(diethylamino)piperidin-1-yl]methanone
CID 95851494
[4-(azepan-1-yl)piperidin-1-yl]-[2-(2-ethylphenyl)-4-methyl-1,3-thiazol-5-yl]methanone
CID 59338537
ethyl 1-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carbonyl]piperidine-4-carboxylate
CID 38414533

Frequently Asked Questions

What is the IUPAC name of [4-(diethylamino)piperidin-1-yl]-[2-(2,6-dimethylphenyl)-4-methyl-1,3-thiazol-5-yl]methanone?
The IUPAC name of [4-(diethylamino)piperidin-1-yl]-[2-(2,6-dimethylphenyl)-4-methyl-1,3-thiazol-5-yl]methanone (CID 59337801) is [4-(diethylamino)piperidin-1-yl]-[2-(2,6-dimethylphenyl)-4-methyl-1,3-thiazol-5-yl]methanone.
What is the SMILES notation for [4-(diethylamino)piperidin-1-yl]-[2-(2,6-dimethylphenyl)-4-methyl-1,3-thiazol-5-yl]methanone?
The canonical SMILES for [4-(diethylamino)piperidin-1-yl]-[2-(2,6-dimethylphenyl)-4-methyl-1,3-thiazol-5-yl]methanone is CCN(CC)C1CCN(C(=O)c2sc(-c3c(C)cccc3C)nc2C)CC1.
What is the InChIKey of [4-(diethylamino)piperidin-1-yl]-[2-(2,6-dimethylphenyl)-4-methyl-1,3-thiazol-5-yl]methanone?
The InChIKey is GSCFXQJRJWFSEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3OS/c1-6-24(7-2)18-11-13-25(14-12-18)22(26)20-17(5)23-21(27-20)19-15(3)9-8-10-16(19)4/h8-10,18H,6-7,11-14H2,1-5H3.
What are the key properties of [4-(diethylamino)piperidin-1-yl]-[2-(2,6-dimethylphenyl)-4-methyl-1,3-thiazol-5-yl]methanone?
[4-(diethylamino)piperidin-1-yl]-[2-(2,6-dimethylphenyl)-4-methyl-1,3-thiazol-5-yl]methanone has a molecular weight of 385.58 g/mol, XLogP of 4.68, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(diethylamino)piperidin-1-yl]-[2-(2,6-dimethylphenyl)-4-methyl-1,3-thiazol-5-yl]methanone is sourced from PubChem (CID 59337801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).