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

C16H19N5OS — CID 95341610

IUPAC2-(furan-2-yl)-4-[[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazole
SMILESc1coc(-c2nc(CN3CCC[C@H](Cn4cncn4)C3)cs2)c1
InChIInChI=1S/C16H19N5OS/c1-3-13(8-21-12-17-11-18-21)7-20(5-1)9-14-10-23-16(19-14)15-4-2-6-22-15/h2,4,6,10-13H,1,3,5,7-9H2/t13-/m0/s1
InChIKeyKHFGWTVWYUUTNW-ZDUSSCGKSA-N
MW329.43 g/mol
LogP2.91
Rot. Bonds5

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

2-(furan-2-yl)-4-[[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazole (PubChem CID 95341610) has the molecular formula C16H19N5OS and a molecular weight of 329.43 g/mol. Its IUPAC name is 2-(furan-2-yl)-4-[[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-(furan-2-yl)-4-[[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazole
PubChem CID95341610
Molecular FormulaC16H19N5OS
Molecular Weight329.43 g/mol
Exact Mass329.13
IUPAC Name2-(furan-2-yl)-4-[[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazole
SMILESc1coc(-c2nc(CN3CCC[C@H](Cn4cncn4)C3)cs2)c1
InChIInChI=1S/C16H19N5OS/c1-3-13(8-21-12-17-11-18-21)7-20(5-1)9-14-10-23-16(19-14)15-4-2-6-22-15/h2,4,6,10-13H,1,3,5,7-9H2/t13-/m0/s1
InChIKeyKHFGWTVWYUUTNW-ZDUSSCGKSA-N
XLogP2.91
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 ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-(furan-2-yl)-4-[[(3S)-3-(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-[[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazole
CID 95611716
1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperidin-3-amine;dihydrochloride
CID 119909924
(3S)-1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperidin-3-ol
CID 32611074
2-butyl-4-[[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazole
CID 95331583
(3R)-1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]pyrrolidin-3-amine;dihydrochloride
CID 119904967
6-[[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole
CID 95311215
2-(furan-2-yl)-4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazole
CID 134033819
5-methyl-3-[[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 95313243
2-(furan-2-yl)-4-[(3-pyridin-3-ylpyrrolidin-1-yl)methyl]-1,3-thiazole
CID 138001376
2-[1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]azetidin-3-yl]acetic acid
CID 64618291
2-methyl-3-[[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]quinoxaline
CID 95312010
N-[(1R)-1-(furan-2-yl)ethyl]-2-[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide
CID 95309263

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-4-[[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 2-(furan-2-yl)-4-[[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazole (CID 95341610) is 2-(furan-2-yl)-4-[[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 2-(furan-2-yl)-4-[[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 2-(furan-2-yl)-4-[[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazole is c1coc(-c2nc(CN3CCC[C@H](Cn4cncn4)C3)cs2)c1.
What is the InChIKey of 2-(furan-2-yl)-4-[[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazole?
The InChIKey is KHFGWTVWYUUTNW-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H19N5OS/c1-3-13(8-21-12-17-11-18-21)7-20(5-1)9-14-10-23-16(19-14)15-4-2-6-22-15/h2,4,6,10-13H,1,3,5,7-9H2/t13-/m0/s1.
What are the key properties of 2-(furan-2-yl)-4-[[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazole?
2-(furan-2-yl)-4-[[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazole has a molecular weight of 329.43 g/mol, XLogP of 2.91, 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-[[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 95341610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).