4-[[4-[4-ethyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]-1,3-thiazole

C18H25N7S — CID 72842227

IUPAC4-[[4-[4-ethyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]-1,3-thiazole
SMILESCCn1c(Cn2ccnc2C)nnc1C1CCN(Cc2cscn2)CC1
InChIInChI=1S/C18H25N7S/c1-3-25-17(11-24-9-6-19-14(24)2)21-22-18(25)15-4-7-23(8-5-15)10-16-12-26-13-20-16/h6,9,12-13,15H,3-5,7-8,10-11H2,1-2H3
InChIKeyQRIOPYGLSWFGBR-UHFFFAOYSA-N
MW371.51 g/mol
LogP2.69
Rot. Bonds6

About 4-[[4-[4-ethyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]-1,3-thiazole

4-[[4-[4-ethyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]-1,3-thiazole (PubChem CID 72842227) has the molecular formula C18H25N7S and a molecular weight of 371.51 g/mol. Its IUPAC name is 4-[[4-[4-ethyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name4-[[4-[4-ethyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]-1,3-thiazole
PubChem CID72842227
Molecular FormulaC18H25N7S
Molecular Weight371.51 g/mol
Exact Mass371.19
IUPAC Name4-[[4-[4-ethyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]-1,3-thiazole
SMILESCCn1c(Cn2ccnc2C)nnc1C1CCN(Cc2cscn2)CC1
InChIInChI=1S/C18H25N7S/c1-3-25-17(11-24-9-6-19-14(24)2)21-22-18(25)15-4-7-23(8-5-15)10-16-12-26-13-20-16/h6,9,12-13,15H,3-5,7-8,10-11H2,1-2H3
InChIKeyQRIOPYGLSWFGBR-UHFFFAOYSA-N
XLogP2.69
TPSA64.66 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.51
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-[[4-[4-ethyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]-5-methylpyrazine
CID 72859690
4-[4-ethyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]-1-propylpiperidine
CID 72905123
1-cycloheptyl-4-[4-ethyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidine
CID 72864739
2-methyl-4-[[4-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]-1,3-thiazole
CID 72924212
2-cyclopropyl-1-[4-[4-ethyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone
CID 72872849
3-[4-[4-ethyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]pyridazine
CID 72891700
[4-[4-ethyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]-(1-methylcyclopropyl)methanone
CID 72839586
propan-2-yl 4-[4-ethyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidine-1-carboxylate
CID 72886702
4-methyl-5-[[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methyl]-1,3-thiazole
CID 72844706
2-methyl-6-[[4-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]pyridine
CID 72907219
4-[[4-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]pyridine
CID 72934485
[4-[4-ethyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 72904054

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[4-ethyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 4-[[4-[4-ethyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]-1,3-thiazole (CID 72842227) is 4-[[4-[4-ethyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 4-[[4-[4-ethyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 4-[[4-[4-ethyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]-1,3-thiazole is CCn1c(Cn2ccnc2C)nnc1C1CCN(Cc2cscn2)CC1.
What is the InChIKey of 4-[[4-[4-ethyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]-1,3-thiazole?
The InChIKey is QRIOPYGLSWFGBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N7S/c1-3-25-17(11-24-9-6-19-14(24)2)21-22-18(25)15-4-7-23(8-5-15)10-16-12-26-13-20-16/h6,9,12-13,15H,3-5,7-8,10-11H2,1-2H3.
What are the key properties of 4-[[4-[4-ethyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]-1,3-thiazole?
4-[[4-[4-ethyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]-1,3-thiazole has a molecular weight of 371.51 g/mol, XLogP of 2.69, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[4-ethyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 72842227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).