N-[2-[(3R)-1-(furan-2-ylmethyl)piperidin-3-yl]ethyl]-4-methylthiadiazole-5-carboxamide

C16H22N4O2S — CID 95205126

IUPACN-[2-[(3R)-1-(furan-2-ylmethyl)piperidin-3-yl]ethyl]-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)NCC[C@H]1CCCN(Cc2ccco2)C1
InChIInChI=1S/C16H22N4O2S/c1-12-15(23-19-18-12)16(21)17-7-6-13-4-2-8-20(10-13)11-14-5-3-9-22-14/h3,5,9,13H,2,4,6-8,10-11H2,1H3,(H,17,21)/t13-/m1/s1
InChIKeyFJYGAROSNUDTPS-CYBMUJFWSA-N
MW334.45 g/mol
LogP2.47
Rot. Bonds6

About N-[2-[(3R)-1-(furan-2-ylmethyl)piperidin-3-yl]ethyl]-4-methylthiadiazole-5-carboxamide

N-[2-[(3R)-1-(furan-2-ylmethyl)piperidin-3-yl]ethyl]-4-methylthiadiazole-5-carboxamide (PubChem CID 95205126) has the molecular formula C16H22N4O2S and a molecular weight of 334.45 g/mol. Its IUPAC name is N-[2-[(3R)-1-(furan-2-ylmethyl)piperidin-3-yl]ethyl]-4-methylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-[(3R)-1-(furan-2-ylmethyl)piperidin-3-yl]ethyl]-4-methylthiadiazole-5-carboxamide
PubChem CID95205126
Molecular FormulaC16H22N4O2S
Molecular Weight334.45 g/mol
Exact Mass334.15
IUPAC NameN-[2-[(3R)-1-(furan-2-ylmethyl)piperidin-3-yl]ethyl]-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)NCC[C@H]1CCCN(Cc2ccco2)C1
InChIInChI=1S/C16H22N4O2S/c1-12-15(23-19-18-12)16(21)17-7-6-13-4-2-8-20(10-13)11-14-5-3-9-22-14/h3,5,9,13H,2,4,6-8,10-11H2,1H3,(H,17,21)/t13-/m1/s1
InChIKeyFJYGAROSNUDTPS-CYBMUJFWSA-N
XLogP2.47
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.45
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[(3R)-1-(furan-2-ylmethyl)piperidin-3-yl]ethyl]-1H-pyrrole-2-carboxamide
CID 95223631
3-amino-N-[2-[1-(furan-2-ylmethyl)piperidin-3-yl]ethyl]benzamide;hydrochloride
CID 154887421
N-[2-[(3R)-1-(furan-2-ylmethyl)piperidin-3-yl]ethyl]-3-hydroxybenzamide
CID 95226562
N-(furan-2-ylmethyl)-4-methylthiadiazole-5-carboxamide
CID 7576752
1-[[1-(furan-2-ylmethyl)piperidin-3-yl]methyl]-3-propylurea
CID 56741397
4-methyl-N-[[1-(2-methylpropyl)piperidin-3-yl]methyl]thiadiazole-5-carboxamide
CID 56714920
N-[[(3S)-1-(furan-2-ylmethyl)piperidin-3-yl]methyl]-2-pyrrolidin-1-ylacetamide
CID 95200289
(3S)-N-[2-(5-chloro-4-methyl-1,3-thiazol-2-yl)ethyl]-1-(furan-2-ylmethyl)piperidine-3-carboxamide
CID 97282796
N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-1-(furan-2-ylmethyl)piperidine-3-carboxamide
CID 72918182
N-[[(3R)-1-(furan-2-ylmethyl)piperidin-3-yl]methyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 95191321
1-(furan-2-ylmethyl)-3-(2-methylpropyl)piperidine
CID 169242230
N-[(5-methylfuran-2-yl)methyl]-3-[1-(4-methylthiadiazole-5-carbonyl)piperidin-3-yl]propanamide
CID 45190460

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3R)-1-(furan-2-ylmethyl)piperidin-3-yl]ethyl]-4-methylthiadiazole-5-carboxamide?
The IUPAC name of N-[2-[(3R)-1-(furan-2-ylmethyl)piperidin-3-yl]ethyl]-4-methylthiadiazole-5-carboxamide (CID 95205126) is N-[2-[(3R)-1-(furan-2-ylmethyl)piperidin-3-yl]ethyl]-4-methylthiadiazole-5-carboxamide.
What is the SMILES notation for N-[2-[(3R)-1-(furan-2-ylmethyl)piperidin-3-yl]ethyl]-4-methylthiadiazole-5-carboxamide?
The canonical SMILES for N-[2-[(3R)-1-(furan-2-ylmethyl)piperidin-3-yl]ethyl]-4-methylthiadiazole-5-carboxamide is Cc1nnsc1C(=O)NCC[C@H]1CCCN(Cc2ccco2)C1.
What is the InChIKey of N-[2-[(3R)-1-(furan-2-ylmethyl)piperidin-3-yl]ethyl]-4-methylthiadiazole-5-carboxamide?
The InChIKey is FJYGAROSNUDTPS-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H22N4O2S/c1-12-15(23-19-18-12)16(21)17-7-6-13-4-2-8-20(10-13)11-14-5-3-9-22-14/h3,5,9,13H,2,4,6-8,10-11H2,1H3,(H,17,21)/t13-/m1/s1.
What are the key properties of N-[2-[(3R)-1-(furan-2-ylmethyl)piperidin-3-yl]ethyl]-4-methylthiadiazole-5-carboxamide?
N-[2-[(3R)-1-(furan-2-ylmethyl)piperidin-3-yl]ethyl]-4-methylthiadiazole-5-carboxamide has a molecular weight of 334.45 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3R)-1-(furan-2-ylmethyl)piperidin-3-yl]ethyl]-4-methylthiadiazole-5-carboxamide is sourced from PubChem (CID 95205126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).