[2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-[4-(3,4-dimethylphenoxy)piperidin-1-yl]methanone

C26H30N2O4S — CID 55803749

IUPAC[2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-[4-(3,4-dimethylphenoxy)piperidin-1-yl]methanone
SMILESCOc1ccc(-c2nc(C)c(C(=O)N3CCC(Oc4ccc(C)c(C)c4)CC3)s2)cc1OC
InChIInChI=1S/C26H30N2O4S/c1-16-6-8-21(14-17(16)2)32-20-10-12-28(13-11-20)26(29)24-18(3)27-25(33-24)19-7-9-22(30-4)23(15-19)31-5/h6-9,14-15,20H,10-13H2,1-5H3
InChIKeyQQAUIFRLMVTPJX-UHFFFAOYSA-N
MW466.60 g/mol
LogP5.44
Rot. Bonds6

About [2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-[4-(3,4-dimethylphenoxy)piperidin-1-yl]methanone

[2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-[4-(3,4-dimethylphenoxy)piperidin-1-yl]methanone (PubChem CID 55803749) has the molecular formula C26H30N2O4S and a molecular weight of 466.60 g/mol. Its IUPAC name is [2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-[4-(3,4-dimethylphenoxy)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-[4-(3,4-dimethylphenoxy)piperidin-1-yl]methanone
PubChem CID55803749
Molecular FormulaC26H30N2O4S
Molecular Weight466.60 g/mol
Exact Mass466.19
IUPAC Name[2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-[4-(3,4-dimethylphenoxy)piperidin-1-yl]methanone
SMILESCOc1ccc(-c2nc(C)c(C(=O)N3CCC(Oc4ccc(C)c(C)c4)CC3)s2)cc1OC
InChIInChI=1S/C26H30N2O4S/c1-16-6-8-21(14-17(16)2)32-20-10-12-28(13-11-20)26(29)24-18(3)27-25(33-24)19-7-9-22(30-4)23(15-19)31-5/h6-9,14-15,20H,10-13H2,1-5H3
InChIKeyQQAUIFRLMVTPJX-UHFFFAOYSA-N
XLogP5.44
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.60
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidine-4-carboxylic acid
CID 45341282
[2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 154737683
[4-[2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperazin-1-yl]-phenylmethanone
CID 46491157
[2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-[(2S)-2-methylmorpholin-4-yl]methanone
CID 41247494
(2R)-1-[2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carbonyl]pyrrolidine-2-carboxylic acid
CID 119371551
2-[4-[2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperazin-1-yl]-N,N-dimethylacetamide
CID 43020040
[2-(aminomethyl)pyrrolidin-1-yl]-[2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methanone
CID 119633380
2-[4-[2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperazin-1-yl]-N,N-diethylacetamide
CID 30688944
[4-(4-fluorophenoxy)piperidin-1-yl]-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methanone
CID 46971567
2-(3,4-dimethoxyphenyl)-4-methyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide
CID 119452667
[(2R)-2-benzylpyrrolidin-1-yl]-[2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methanone
CID 32825320
[2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methanone
CID 55651256

Frequently Asked Questions

What is the IUPAC name of [2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-[4-(3,4-dimethylphenoxy)piperidin-1-yl]methanone?
The IUPAC name of [2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-[4-(3,4-dimethylphenoxy)piperidin-1-yl]methanone (CID 55803749) is [2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-[4-(3,4-dimethylphenoxy)piperidin-1-yl]methanone.
What is the SMILES notation for [2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-[4-(3,4-dimethylphenoxy)piperidin-1-yl]methanone?
The canonical SMILES for [2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-[4-(3,4-dimethylphenoxy)piperidin-1-yl]methanone is COc1ccc(-c2nc(C)c(C(=O)N3CCC(Oc4ccc(C)c(C)c4)CC3)s2)cc1OC.
What is the InChIKey of [2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-[4-(3,4-dimethylphenoxy)piperidin-1-yl]methanone?
The InChIKey is QQAUIFRLMVTPJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O4S/c1-16-6-8-21(14-17(16)2)32-20-10-12-28(13-11-20)26(29)24-18(3)27-25(33-24)19-7-9-22(30-4)23(15-19)31-5/h6-9,14-15,20H,10-13H2,1-5H3.
What are the key properties of [2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-[4-(3,4-dimethylphenoxy)piperidin-1-yl]methanone?
[2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-[4-(3,4-dimethylphenoxy)piperidin-1-yl]methanone has a molecular weight of 466.60 g/mol, XLogP of 5.44, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-[4-(3,4-dimethylphenoxy)piperidin-1-yl]methanone is sourced from PubChem (CID 55803749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).