3,5-dimethoxy-N-[4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide

C20H27N3O3S — CID 108750792

IUPAC3,5-dimethoxy-N-[4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2nc(C)c(CN3CCC(C)CC3)s2)c1
InChIInChI=1S/C20H27N3O3S/c1-13-5-7-23(8-6-13)12-18-14(2)21-20(27-18)22-19(24)15-9-16(25-3)11-17(10-15)26-4/h9-11,13H,5-8,12H2,1-4H3,(H,21,22,24)
InChIKeyBVAABYWFXIJSPD-UHFFFAOYSA-N
MW389.52 g/mol
LogP3.95
Rot. Bonds6

About 3,5-dimethoxy-N-[4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide

3,5-dimethoxy-N-[4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide (PubChem CID 108750792) has the molecular formula C20H27N3O3S and a molecular weight of 389.52 g/mol. Its IUPAC name is 3,5-dimethoxy-N-[4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name3,5-dimethoxy-N-[4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide
PubChem CID108750792
Molecular FormulaC20H27N3O3S
Molecular Weight389.52 g/mol
Exact Mass389.18
IUPAC Name3,5-dimethoxy-N-[4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2nc(C)c(CN3CCC(C)CC3)s2)c1
InChIInChI=1S/C20H27N3O3S/c1-13-5-7-23(8-6-13)12-18-14(2)21-20(27-18)22-19(24)15-9-16(25-3)11-17(10-15)26-4/h9-11,13H,5-8,12H2,1-4H3,(H,21,22,24)
InChIKeyBVAABYWFXIJSPD-UHFFFAOYSA-N
XLogP3.95
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.52
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3,4,5-triethoxy-N-[4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide
CID 108750793
N-[4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 108726673
2,2-dimethyl-N-[4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]propanamide
CID 108726727
2-methyl-N-[4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]prop-2-enamide
CID 108726679
1-(4,6-dimethylpyrimidin-2-yl)-N-[4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 108726775
2-chloro-6-fluoro-N-[4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide
CID 108726723
3,5-dimethoxy-N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide
CID 959053
2-(4-bromophenyl)-N-[4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 108726788
(2E,4E)-N-[4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]hexa-2,4-dienamide
CID 108726683
4-(4-chlorophenoxy)-N-[4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]butanamide
CID 108750890
2-(1-adamantyl)-N-[4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 108750801
(E)-N-[4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-3-(4-methylphenyl)prop-2-enamide
CID 108750838

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-N-[4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 3,5-dimethoxy-N-[4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide (CID 108750792) is 3,5-dimethoxy-N-[4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 3,5-dimethoxy-N-[4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 3,5-dimethoxy-N-[4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide is COc1cc(OC)cc(C(=O)Nc2nc(C)c(CN3CCC(C)CC3)s2)c1.
What is the InChIKey of 3,5-dimethoxy-N-[4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide?
The InChIKey is BVAABYWFXIJSPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3S/c1-13-5-7-23(8-6-13)12-18-14(2)21-20(27-18)22-19(24)15-9-16(25-3)11-17(10-15)26-4/h9-11,13H,5-8,12H2,1-4H3,(H,21,22,24).
What are the key properties of 3,5-dimethoxy-N-[4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide?
3,5-dimethoxy-N-[4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide has a molecular weight of 389.52 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-N-[4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 108750792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).