(2,4-dimethyl-1,3-thiazol-5-yl)-[4-(5,6,7,8-tetrahydrocinnolin-3-yloxymethyl)piperidin-1-yl]methanone

C20H26N4O2S — CID 134161035

IUPAC(2,4-dimethyl-1,3-thiazol-5-yl)-[4-(5,6,7,8-tetrahydrocinnolin-3-yloxymethyl)piperidin-1-yl]methanone
SMILESCc1nc(C)c(C(=O)N2CCC(COc3cc4c(nn3)CCCC4)CC2)s1
InChIInChI=1S/C20H26N4O2S/c1-13-19(27-14(2)21-13)20(25)24-9-7-15(8-10-24)12-26-18-11-16-5-3-4-6-17(16)22-23-18/h11,15H,3-10,12H2,1-2H3
InChIKeyGDLGECDRFNRONX-UHFFFAOYSA-N
MW386.52 g/mol
LogP3.36
Rot. Bonds4

About (2,4-dimethyl-1,3-thiazol-5-yl)-[4-(5,6,7,8-tetrahydrocinnolin-3-yloxymethyl)piperidin-1-yl]methanone

(2,4-dimethyl-1,3-thiazol-5-yl)-[4-(5,6,7,8-tetrahydrocinnolin-3-yloxymethyl)piperidin-1-yl]methanone (PubChem CID 134161035) has the molecular formula C20H26N4O2S and a molecular weight of 386.52 g/mol. Its IUPAC name is (2,4-dimethyl-1,3-thiazol-5-yl)-[4-(5,6,7,8-tetrahydrocinnolin-3-yloxymethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2,4-dimethyl-1,3-thiazol-5-yl)-[4-(5,6,7,8-tetrahydrocinnolin-3-yloxymethyl)piperidin-1-yl]methanone
PubChem CID134161035
Molecular FormulaC20H26N4O2S
Molecular Weight386.52 g/mol
Exact Mass386.18
IUPAC Name(2,4-dimethyl-1,3-thiazol-5-yl)-[4-(5,6,7,8-tetrahydrocinnolin-3-yloxymethyl)piperidin-1-yl]methanone
SMILESCc1nc(C)c(C(=O)N2CCC(COc3cc4c(nn3)CCCC4)CC2)s1
InChIInChI=1S/C20H26N4O2S/c1-13-19(27-14(2)21-13)20(25)24-9-7-15(8-10-24)12-26-18-11-16-5-3-4-6-17(16)22-23-18/h11,15H,3-10,12H2,1-2H3
InChIKeyGDLGECDRFNRONX-UHFFFAOYSA-N
XLogP3.36
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2-methoxyphenyl)-[4-(5,6,7,8-tetrahydrocinnolin-3-yloxymethyl)piperidin-1-yl]methanone
CID 134161282
(2,4-dimethyl-1,3-thiazol-5-yl)-[4-[(3-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]methanone
CID 126872700
(2,4-dimethyl-1,3-thiazol-5-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 103807604
(2,4-dimethyl-1,3-thiazol-5-yl)-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]methanone
CID 55481734
(2,4-dimethyl-1,3-thiazol-5-yl)-[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methanone
CID 90493668
(2,4-dimethyl-1,3-thiazol-5-yl)-[4-[2-(methylamino)ethyl]piperidin-1-yl]methanone
CID 103887558
(2,4-dimethyl-1,3-thiazol-5-yl)-[4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methanone
CID 126889178
(2-amino-4-methyl-1,3-thiazol-5-yl)-[4-(methoxymethyl)piperidin-1-yl]methanone
CID 63979394
[(3R)-3-aminopyrrolidin-1-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)methanone
CID 103805034
[3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)methanone
CID 121017568
cyclopentyl-[4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]methanone
CID 36515172
(2,4-dimethyl-1,3-thiazol-5-yl)-(4-phenylpiperidin-1-yl)methanone
CID 39581415

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethyl-1,3-thiazol-5-yl)-[4-(5,6,7,8-tetrahydrocinnolin-3-yloxymethyl)piperidin-1-yl]methanone?
The IUPAC name of (2,4-dimethyl-1,3-thiazol-5-yl)-[4-(5,6,7,8-tetrahydrocinnolin-3-yloxymethyl)piperidin-1-yl]methanone (CID 134161035) is (2,4-dimethyl-1,3-thiazol-5-yl)-[4-(5,6,7,8-tetrahydrocinnolin-3-yloxymethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (2,4-dimethyl-1,3-thiazol-5-yl)-[4-(5,6,7,8-tetrahydrocinnolin-3-yloxymethyl)piperidin-1-yl]methanone?
The canonical SMILES for (2,4-dimethyl-1,3-thiazol-5-yl)-[4-(5,6,7,8-tetrahydrocinnolin-3-yloxymethyl)piperidin-1-yl]methanone is Cc1nc(C)c(C(=O)N2CCC(COc3cc4c(nn3)CCCC4)CC2)s1.
What is the InChIKey of (2,4-dimethyl-1,3-thiazol-5-yl)-[4-(5,6,7,8-tetrahydrocinnolin-3-yloxymethyl)piperidin-1-yl]methanone?
The InChIKey is GDLGECDRFNRONX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2S/c1-13-19(27-14(2)21-13)20(25)24-9-7-15(8-10-24)12-26-18-11-16-5-3-4-6-17(16)22-23-18/h11,15H,3-10,12H2,1-2H3.
What are the key properties of (2,4-dimethyl-1,3-thiazol-5-yl)-[4-(5,6,7,8-tetrahydrocinnolin-3-yloxymethyl)piperidin-1-yl]methanone?
(2,4-dimethyl-1,3-thiazol-5-yl)-[4-(5,6,7,8-tetrahydrocinnolin-3-yloxymethyl)piperidin-1-yl]methanone has a molecular weight of 386.52 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethyl-1,3-thiazol-5-yl)-[4-(5,6,7,8-tetrahydrocinnolin-3-yloxymethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 134161035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).