2-(furan-2-yl)-4-[[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazole

C16H19N5OS — CID 95611716

IUPAC2-(furan-2-yl)-4-[[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazole
SMILESc1coc(-c2nc(CN3CCCC[C@@H]3Cn3cncn3)cs2)c1
InChIInChI=1S/C16H19N5OS/c1-2-6-20(14(4-1)9-21-12-17-11-18-21)8-13-10-23-16(19-13)15-5-3-7-22-15/h3,5,7,10-12,14H,1-2,4,6,8-9H2/t14-/m1/s1
InChIKeyODJSXFACTGAUFY-CQSZACIVSA-N
MW329.43 g/mol
LogP3.05
Rot. Bonds5

About 2-(furan-2-yl)-4-[[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazole

2-(furan-2-yl)-4-[[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazole (PubChem CID 95611716) has the molecular formula C16H19N5OS and a molecular weight of 329.43 g/mol. Its IUPAC name is 2-(furan-2-yl)-4-[[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-(furan-2-yl)-4-[[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazole
PubChem CID95611716
Molecular FormulaC16H19N5OS
Molecular Weight329.43 g/mol
Exact Mass329.13
IUPAC Name2-(furan-2-yl)-4-[[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazole
SMILESc1coc(-c2nc(CN3CCCC[C@@H]3Cn3cncn3)cs2)c1
InChIInChI=1S/C16H19N5OS/c1-2-6-20(14(4-1)9-21-12-17-11-18-21)8-13-10-23-16(19-13)15-5-3-7-22-15/h3,5,7,10-12,14H,1-2,4,6,8-9H2/t14-/m1/s1
InChIKeyODJSXFACTGAUFY-CQSZACIVSA-N
XLogP3.05
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-(furan-2-yl)-4-[[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazole with MolForge

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Related Compounds

2-(furan-2-yl)-4-[[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazole
CID 95341610
2-(1-methylpyrazol-4-yl)-4-[[(2S)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazole
CID 95291824
2-cyclopentyl-4-[[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazole
CID 95610006
3-(furan-2-yl)-5-[[(2R)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 95305735
1-[1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]pyrrolidin-2-yl]-N-methylmethanamine;dihydrochloride
CID 119928300
N-[4-[[(2S)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 95609755
1-[[(2R)-1-[(4-phenylthiophen-2-yl)methyl]pyrrolidin-2-yl]methyl]-1,2,4-triazole
CID 164629553
1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]pyrrolidine-2-carboxylic acid
CID 43442132
N-(furan-2-ylmethyl)-N-methyl-2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide
CID 56802926
3-(furan-3-yl)-5-[[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 56802734
2-methyl-5-[[(2S)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazole
CID 95291938
6-chloro-2-[[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]imidazo[1,2-a]pyridine
CID 56780613

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-4-[[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 2-(furan-2-yl)-4-[[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazole (CID 95611716) is 2-(furan-2-yl)-4-[[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 2-(furan-2-yl)-4-[[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 2-(furan-2-yl)-4-[[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazole is c1coc(-c2nc(CN3CCCC[C@@H]3Cn3cncn3)cs2)c1.
What is the InChIKey of 2-(furan-2-yl)-4-[[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazole?
The InChIKey is ODJSXFACTGAUFY-CQSZACIVSA-N. The full InChI is InChI=1S/C16H19N5OS/c1-2-6-20(14(4-1)9-21-12-17-11-18-21)8-13-10-23-16(19-13)15-5-3-7-22-15/h3,5,7,10-12,14H,1-2,4,6,8-9H2/t14-/m1/s1.
What are the key properties of 2-(furan-2-yl)-4-[[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazole?
2-(furan-2-yl)-4-[[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazole has a molecular weight of 329.43 g/mol, XLogP of 3.05, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-4-[[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 95611716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).