(2,3-dimethoxyphenyl)-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone

C17H20N2O3S — CID 95770186

IUPAC(2,3-dimethoxyphenyl)-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
SMILESCOc1cccc(C(=O)N2CCCC[C@H]2c2nccs2)c1OC
InChIInChI=1S/C17H20N2O3S/c1-21-14-8-5-6-12(15(14)22-2)17(20)19-10-4-3-7-13(19)16-18-9-11-23-16/h5-6,8-9,11,13H,3-4,7,10H2,1-2H3/t13-/m0/s1
InChIKeyZFYQCPAJHDWVSA-ZDUSSCGKSA-N
MW332.43 g/mol
LogP3.53
Rot. Bonds4

About (2,3-dimethoxyphenyl)-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone

(2,3-dimethoxyphenyl)-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone (PubChem CID 95770186) has the molecular formula C17H20N2O3S and a molecular weight of 332.43 g/mol. Its IUPAC name is (2,3-dimethoxyphenyl)-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2,3-dimethoxyphenyl)-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
PubChem CID95770186
Molecular FormulaC17H20N2O3S
Molecular Weight332.43 g/mol
Exact Mass332.12
IUPAC Name(2,3-dimethoxyphenyl)-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
SMILESCOc1cccc(C(=O)N2CCCC[C@H]2c2nccs2)c1OC
InChIInChI=1S/C17H20N2O3S/c1-21-14-8-5-6-12(15(14)22-2)17(20)19-10-4-3-7-13(19)16-18-9-11-23-16/h5-6,8-9,11,13H,3-4,7,10H2,1-2H3/t13-/m0/s1
InChIKeyZFYQCPAJHDWVSA-ZDUSSCGKSA-N
XLogP3.53
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2,3-dimethoxyphenyl)-[2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]methanone
CID 91767685
2-[(5aS,8aS)-1-(2,3-dimethoxybenzoyl)-2,3,4,5,5a,6,8,8a-octahydropyrrolo[3,4-b]azepin-7-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 110152564
[(3aR,8aR)-1-methyl-2,3,3a,5,6,7,8,8a-octahydropyrrolo[3,2-b]azepin-4-yl]-(2,3-dimethoxyphenyl)methanone
CID 110136269
(2S)-N-(6-methoxy-3-pyridinyl)-2-(1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 97434584
[2-(aminomethyl)piperidin-1-yl]-(2,3-dimethoxyphenyl)methanone;hydrochloride
CID 119469424
(2,3-dimethoxyphenyl)-[(2R)-2-(4-pyridin-4-yl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
CID 92600642
2-(1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 66584691
(3,5-dimethyl-1,2-oxazol-4-yl)-[2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 86768613
1-(2,3-dimethoxybenzoyl)pyrrolidine-2-carboxylic acid
CID 24699096
(5-methoxy-1-methylindol-2-yl)-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 97118078
(2,3-dimethoxyphenyl)-[(2S)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 95316336
9-hydroxy-3-[(2S)-2-(1,3-thiazol-2-yl)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one
CID 126452521

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethoxyphenyl)-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone?
The IUPAC name of (2,3-dimethoxyphenyl)-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone (CID 95770186) is (2,3-dimethoxyphenyl)-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (2,3-dimethoxyphenyl)-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for (2,3-dimethoxyphenyl)-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone is COc1cccc(C(=O)N2CCCC[C@H]2c2nccs2)c1OC.
What is the InChIKey of (2,3-dimethoxyphenyl)-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone?
The InChIKey is ZFYQCPAJHDWVSA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H20N2O3S/c1-21-14-8-5-6-12(15(14)22-2)17(20)19-10-4-3-7-13(19)16-18-9-11-23-16/h5-6,8-9,11,13H,3-4,7,10H2,1-2H3/t13-/m0/s1.
What are the key properties of (2,3-dimethoxyphenyl)-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone?
(2,3-dimethoxyphenyl)-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone has a molecular weight of 332.43 g/mol, XLogP of 3.53, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethoxyphenyl)-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 95770186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).