[(3R)-3-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-[2-(methoxymethyl)-1,3-thiazol-4-yl]methanone

C19H27N5O2S — CID 97339722

IUPAC[(3R)-3-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-[2-(methoxymethyl)-1,3-thiazol-4-yl]methanone
SMILESCOCc1nc(C(=O)N2CCC[C@@H](c3n[nH]c(C4CCCCC4)n3)C2)cs1
InChIInChI=1S/C19H27N5O2S/c1-26-11-16-20-15(12-27-16)19(25)24-9-5-8-14(10-24)18-21-17(22-23-18)13-6-3-2-4-7-13/h12-14H,2-11H2,1H3,(H,21,22,23)/t14-/m1/s1
InChIKeyJUEHDUGUSXIJMF-CQSZACIVSA-N
MW389.53 g/mol
LogP3.48
Rot. Bonds5

About [(3R)-3-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-[2-(methoxymethyl)-1,3-thiazol-4-yl]methanone

[(3R)-3-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-[2-(methoxymethyl)-1,3-thiazol-4-yl]methanone (PubChem CID 97339722) has the molecular formula C19H27N5O2S and a molecular weight of 389.53 g/mol. Its IUPAC name is [(3R)-3-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-[2-(methoxymethyl)-1,3-thiazol-4-yl]methanone.

Molecular Properties

Compound Name[(3R)-3-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-[2-(methoxymethyl)-1,3-thiazol-4-yl]methanone
PubChem CID97339722
Molecular FormulaC19H27N5O2S
Molecular Weight389.53 g/mol
Exact Mass389.19
IUPAC Name[(3R)-3-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-[2-(methoxymethyl)-1,3-thiazol-4-yl]methanone
SMILESCOCc1nc(C(=O)N2CCC[C@@H](c3n[nH]c(C4CCCCC4)n3)C2)cs1
InChIInChI=1S/C19H27N5O2S/c1-26-11-16-20-15(12-27-16)19(25)24-9-5-8-14(10-24)18-21-17(22-23-18)13-6-3-2-4-7-13/h12-14H,2-11H2,1H3,(H,21,22,23)/t14-/m1/s1
InChIKeyJUEHDUGUSXIJMF-CQSZACIVSA-N
XLogP3.48
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.53
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [(3R)-3-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-[2-(methoxymethyl)-1,3-thiazol-4-yl]methanone with MolForge

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Launch Full Analysis

Related Compounds

[2-(methoxymethyl)-1,3-thiazol-4-yl]-[(4R)-4-phenylazepan-1-yl]methanone
CID 95174920
3-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-N-ethylpiperidine-1-carboxamide
CID 75476886
(3R)-3-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-N-ethylpiperidine-1-carboxamide
CID 97350725
[(3S)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-[2-(methoxymethyl)-1,3-thiazol-4-yl]methanone
CID 95978658
[3-(4-ethylphenyl)pyrrolidin-1-yl]-[2-(methoxymethyl)-1,3-thiazol-4-yl]methanone
CID 136544722
[(3S)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-[2-(methoxymethyl)-1,3-thiazol-4-yl]methanone
CID 95342023
[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-[2-(methoxymethyl)-1,3-thiazol-4-yl]methanone
CID 96500660
(2S)-1-[2-(methoxymethyl)-1,3-thiazole-4-carbonyl]pyrrolidine-2-carboxylic acid
CID 119365625
3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-N-[2-(1,3-thiazol-2-yl)propyl]piperidine-1-carboxamide
CID 127855193
(3-methoxypiperidin-1-yl)-(2-propyl-1,3-thiazol-4-yl)methanone
CID 72865941
[4-[3-(dimethylamino)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]-[2-(hydroxymethyl)-1,3-thiazol-4-yl]methanone
CID 136557386
1-[(3R)-3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-2-thiophen-2-ylethanone
CID 95111120

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-[2-(methoxymethyl)-1,3-thiazol-4-yl]methanone?
The IUPAC name of [(3R)-3-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-[2-(methoxymethyl)-1,3-thiazol-4-yl]methanone (CID 97339722) is [(3R)-3-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-[2-(methoxymethyl)-1,3-thiazol-4-yl]methanone.
What is the SMILES notation for [(3R)-3-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-[2-(methoxymethyl)-1,3-thiazol-4-yl]methanone?
The canonical SMILES for [(3R)-3-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-[2-(methoxymethyl)-1,3-thiazol-4-yl]methanone is COCc1nc(C(=O)N2CCC[C@@H](c3n[nH]c(C4CCCCC4)n3)C2)cs1.
What is the InChIKey of [(3R)-3-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-[2-(methoxymethyl)-1,3-thiazol-4-yl]methanone?
The InChIKey is JUEHDUGUSXIJMF-CQSZACIVSA-N. The full InChI is InChI=1S/C19H27N5O2S/c1-26-11-16-20-15(12-27-16)19(25)24-9-5-8-14(10-24)18-21-17(22-23-18)13-6-3-2-4-7-13/h12-14H,2-11H2,1H3,(H,21,22,23)/t14-/m1/s1.
What are the key properties of [(3R)-3-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-[2-(methoxymethyl)-1,3-thiazol-4-yl]methanone?
[(3R)-3-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-[2-(methoxymethyl)-1,3-thiazol-4-yl]methanone has a molecular weight of 389.53 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-[2-(methoxymethyl)-1,3-thiazol-4-yl]methanone is sourced from PubChem (CID 97339722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).