2-(5-chloro-2-methoxyphenyl)-5-[[(5R)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazole

C18H23ClN2OS — CID 178133484

IUPAC2-(5-chloro-2-methoxyphenyl)-5-[[(5R)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazole
SMILESCOc1ccc(Cl)cc1-c1ncc(CN2CC(C)C[C@@H](C)C2)s1
InChIInChI=1S/C18H23ClN2OS/c1-12-6-13(2)10-21(9-12)11-15-8-20-18(23-15)16-7-14(19)4-5-17(16)22-3/h4-5,7-8,12-13H,6,9-11H2,1-3H3/t12-,13?/m1/s1
InChIKeyPKKULJRGIMKKAX-PZORYLMUSA-N
MW350.92 g/mol
LogP4.95
Rot. Bonds4

About 2-(5-chloro-2-methoxyphenyl)-5-[[(5R)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazole

2-(5-chloro-2-methoxyphenyl)-5-[[(5R)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazole (PubChem CID 178133484) has the molecular formula C18H23ClN2OS and a molecular weight of 350.92 g/mol. Its IUPAC name is 2-(5-chloro-2-methoxyphenyl)-5-[[(5R)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-(5-chloro-2-methoxyphenyl)-5-[[(5R)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazole
PubChem CID178133484
Molecular FormulaC18H23ClN2OS
Molecular Weight350.92 g/mol
Exact Mass350.12
IUPAC Name2-(5-chloro-2-methoxyphenyl)-5-[[(5R)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazole
SMILESCOc1ccc(Cl)cc1-c1ncc(CN2CC(C)C[C@@H](C)C2)s1
InChIInChI=1S/C18H23ClN2OS/c1-12-6-13(2)10-21(9-12)11-15-8-20-18(23-15)16-7-14(19)4-5-17(16)22-3/h4-5,7-8,12-13H,6,9-11H2,1-3H3/t12-,13?/m1/s1
InChIKeyPKKULJRGIMKKAX-PZORYLMUSA-N
XLogP4.95
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.92
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(5-chloro-2-methoxyphenyl)-5-[[(5R)-3,5-dimethylpiperidin-1-yl]methyl]-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

[(3R,5S)-5-tert-butyl-1-[[2-[5-chloro-2-(difluoromethoxy)phenyl]-1,3-thiazol-5-yl]methyl]piperidin-3-yl]methoxymethanol
CID 178133614
(3R,4R)-4-hydroxy-1-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]piperidine-3-carboxylic acid
CID 157011246
(3S,5S)-1-[(3,4-dimethoxyphenyl)methyl]-3,5-dimethylpiperidine
CID 784275
(3R,5R)-1-[2-(2,4-dichlorophenoxy)ethyl]-3,5-dimethylpiperidine
CID 893166
(3R,5S)-1-[2-(2,4-dichlorophenoxy)ethyl]-3,5-dimethylpiperidine
CID 893165
(5-chloro-2-methoxyphenyl)-(3,5-dimethylpiperidin-1-yl)methanone
CID 2904490
[2-[5-chloro-2-(difluoromethoxy)phenyl]-1,3-thiazol-5-yl]methanamine
CID 178134350
2-chloro-5-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3,4-thiadiazole
CID 80611144
5-[[3-(1H-imidazol-2-yl)piperidin-1-yl]methyl]-2-(2-methoxyphenyl)-1,3-thiazole
CID 135119860
[(3aS,7aR)-2-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-1,3,4,6,7,7a-hexahydropyrano[3,4-c]pyrrol-3a-yl]methanol
CID 154811415
(13S)-4-(5-chloro-2-methoxyphenyl)-13-methyl-10-thia-3,5,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene
CID 26434281
1-[(5-chloro-2-methoxyphenyl)methyl]azetidin-3-amine
CID 63761103

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methoxyphenyl)-5-[[(5R)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 2-(5-chloro-2-methoxyphenyl)-5-[[(5R)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazole (CID 178133484) is 2-(5-chloro-2-methoxyphenyl)-5-[[(5R)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 2-(5-chloro-2-methoxyphenyl)-5-[[(5R)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 2-(5-chloro-2-methoxyphenyl)-5-[[(5R)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazole is COc1ccc(Cl)cc1-c1ncc(CN2CC(C)C[C@@H](C)C2)s1.
What is the InChIKey of 2-(5-chloro-2-methoxyphenyl)-5-[[(5R)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazole?
The InChIKey is PKKULJRGIMKKAX-PZORYLMUSA-N. The full InChI is InChI=1S/C18H23ClN2OS/c1-12-6-13(2)10-21(9-12)11-15-8-20-18(23-15)16-7-14(19)4-5-17(16)22-3/h4-5,7-8,12-13H,6,9-11H2,1-3H3/t12-,13?/m1/s1.
What are the key properties of 2-(5-chloro-2-methoxyphenyl)-5-[[(5R)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazole?
2-(5-chloro-2-methoxyphenyl)-5-[[(5R)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazole has a molecular weight of 350.92 g/mol, XLogP of 4.95, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methoxyphenyl)-5-[[(5R)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 178133484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).