2-methyl-4-[4-phenyl-1-(piperidin-3-ylmethyl)piperidin-4-yl]-1,3-thiazole

C21H29N3S — CID 165418252

IUPAC2-methyl-4-[4-phenyl-1-(piperidin-3-ylmethyl)piperidin-4-yl]-1,3-thiazole
SMILESCc1nc(C2(c3ccccc3)CCN(CC3CCCNC3)CC2)cs1
InChIInChI=1S/C21H29N3S/c1-17-23-20(16-25-17)21(19-7-3-2-4-8-19)9-12-24(13-10-21)15-18-6-5-11-22-14-18/h2-4,7-8,16,18,22H,5-6,9-15H2,1H3
InChIKeyJWCUWPUFQNNWMR-UHFFFAOYSA-N
MW355.55 g/mol
LogP3.83
Rot. Bonds4

About 2-methyl-4-[4-phenyl-1-(piperidin-3-ylmethyl)piperidin-4-yl]-1,3-thiazole

2-methyl-4-[4-phenyl-1-(piperidin-3-ylmethyl)piperidin-4-yl]-1,3-thiazole (PubChem CID 165418252) has the molecular formula C21H29N3S and a molecular weight of 355.55 g/mol. Its IUPAC name is 2-methyl-4-[4-phenyl-1-(piperidin-3-ylmethyl)piperidin-4-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-methyl-4-[4-phenyl-1-(piperidin-3-ylmethyl)piperidin-4-yl]-1,3-thiazole
PubChem CID165418252
Molecular FormulaC21H29N3S
Molecular Weight355.55 g/mol
Exact Mass355.21
IUPAC Name2-methyl-4-[4-phenyl-1-(piperidin-3-ylmethyl)piperidin-4-yl]-1,3-thiazole
SMILESCc1nc(C2(c3ccccc3)CCN(CC3CCCNC3)CC2)cs1
InChIInChI=1S/C21H29N3S/c1-17-23-20(16-25-17)21(19-7-3-2-4-8-19)9-12-24(13-10-21)15-18-6-5-11-22-14-18/h2-4,7-8,16,18,22H,5-6,9-15H2,1H3
InChIKeyJWCUWPUFQNNWMR-UHFFFAOYSA-N
XLogP3.83
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.55
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methyl-4-[4-phenyl-1-(piperidin-3-ylmethyl)piperidin-4-yl]-1,3-thiazole 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

2-methyl-4-[4-phenyl-1-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)piperidin-4-yl]-1,3-thiazole;dihydrochloride
CID 166599617
2-[4-[[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]methyl]phenyl]ethanamine
CID 165423845
2-methyl-4-[1-[(6-methyl-3-pyridinyl)methyl]-4-phenylpiperidin-4-yl]-1,3-thiazole
CID 165420034
2-methyl-5-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-1,3,4-thiadiazole
CID 164692403
(2S)-2-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidine-1-carbonyl]pyrrolidine-1-carboxamide
CID 165425692
2-methyl-4-[4-phenyl-1-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)piperidin-4-yl]-1,3-thiazole
CID 165422083
[2-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-2-oxoethyl]urea
CID 164691667
4-fluoro-4-methyl-1-(piperidin-3-ylmethyl)piperidine
CID 115028862
4-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidine-1-carbonyl]benzamide
CID 165420028
2-(piperidin-3-ylmethyl)-1,3-dihydroisoindole
CID 62205557
4,6-dimethyl-2-[4-(piperidin-3-ylmethyl)piperazin-1-yl]pyrimidine
CID 120847701
3-[2-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 165426020

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[4-phenyl-1-(piperidin-3-ylmethyl)piperidin-4-yl]-1,3-thiazole?
The IUPAC name of 2-methyl-4-[4-phenyl-1-(piperidin-3-ylmethyl)piperidin-4-yl]-1,3-thiazole (CID 165418252) is 2-methyl-4-[4-phenyl-1-(piperidin-3-ylmethyl)piperidin-4-yl]-1,3-thiazole.
What is the SMILES notation for 2-methyl-4-[4-phenyl-1-(piperidin-3-ylmethyl)piperidin-4-yl]-1,3-thiazole?
The canonical SMILES for 2-methyl-4-[4-phenyl-1-(piperidin-3-ylmethyl)piperidin-4-yl]-1,3-thiazole is Cc1nc(C2(c3ccccc3)CCN(CC3CCCNC3)CC2)cs1.
What is the InChIKey of 2-methyl-4-[4-phenyl-1-(piperidin-3-ylmethyl)piperidin-4-yl]-1,3-thiazole?
The InChIKey is JWCUWPUFQNNWMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3S/c1-17-23-20(16-25-17)21(19-7-3-2-4-8-19)9-12-24(13-10-21)15-18-6-5-11-22-14-18/h2-4,7-8,16,18,22H,5-6,9-15H2,1H3.
What are the key properties of 2-methyl-4-[4-phenyl-1-(piperidin-3-ylmethyl)piperidin-4-yl]-1,3-thiazole?
2-methyl-4-[4-phenyl-1-(piperidin-3-ylmethyl)piperidin-4-yl]-1,3-thiazole has a molecular weight of 355.55 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[4-phenyl-1-(piperidin-3-ylmethyl)piperidin-4-yl]-1,3-thiazole is sourced from PubChem (CID 165418252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).