N-(furan-2-ylmethyl)-1-[5-(4-methylpiperidin-1-yl)-1,2,4-thiadiazol-3-yl]propan-2-amine

C16H24N4OS — CID 142761640

IUPACN-(furan-2-ylmethyl)-1-[5-(4-methylpiperidin-1-yl)-1,2,4-thiadiazol-3-yl]propan-2-amine
SMILESCC1CCN(c2nc(CC(C)NCc3ccco3)ns2)CC1
InChIInChI=1S/C16H24N4OS/c1-12-5-7-20(8-6-12)16-18-15(19-22-16)10-13(2)17-11-14-4-3-9-21-14/h3-4,9,12-13,17H,5-8,10-11H2,1-2H3
InChIKeyFKHNOJKUMQNSNI-UHFFFAOYSA-N
MW320.46 g/mol
LogP3.09
Rot. Bonds6

About N-(furan-2-ylmethyl)-1-[5-(4-methylpiperidin-1-yl)-1,2,4-thiadiazol-3-yl]propan-2-amine

N-(furan-2-ylmethyl)-1-[5-(4-methylpiperidin-1-yl)-1,2,4-thiadiazol-3-yl]propan-2-amine (PubChem CID 142761640) has the molecular formula C16H24N4OS and a molecular weight of 320.46 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-1-[5-(4-methylpiperidin-1-yl)-1,2,4-thiadiazol-3-yl]propan-2-amine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-1-[5-(4-methylpiperidin-1-yl)-1,2,4-thiadiazol-3-yl]propan-2-amine
PubChem CID142761640
Molecular FormulaC16H24N4OS
Molecular Weight320.46 g/mol
Exact Mass320.17
IUPAC NameN-(furan-2-ylmethyl)-1-[5-(4-methylpiperidin-1-yl)-1,2,4-thiadiazol-3-yl]propan-2-amine
SMILESCC1CCN(c2nc(CC(C)NCc3ccco3)ns2)CC1
InChIInChI=1S/C16H24N4OS/c1-12-5-7-20(8-6-12)16-18-15(19-22-16)10-13(2)17-11-14-4-3-9-21-14/h3-4,9,12-13,17H,5-8,10-11H2,1-2H3
InChIKeyFKHNOJKUMQNSNI-UHFFFAOYSA-N
XLogP3.09
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.46
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-1-[5-(4-methylpiperidin-1-yl)-1,2,4-thiadiazol-3-yl]propan-2-amine?
The IUPAC name of N-(furan-2-ylmethyl)-1-[5-(4-methylpiperidin-1-yl)-1,2,4-thiadiazol-3-yl]propan-2-amine (CID 142761640) is N-(furan-2-ylmethyl)-1-[5-(4-methylpiperidin-1-yl)-1,2,4-thiadiazol-3-yl]propan-2-amine.
What is the SMILES notation for N-(furan-2-ylmethyl)-1-[5-(4-methylpiperidin-1-yl)-1,2,4-thiadiazol-3-yl]propan-2-amine?
The canonical SMILES for N-(furan-2-ylmethyl)-1-[5-(4-methylpiperidin-1-yl)-1,2,4-thiadiazol-3-yl]propan-2-amine is CC1CCN(c2nc(CC(C)NCc3ccco3)ns2)CC1.
What is the InChIKey of N-(furan-2-ylmethyl)-1-[5-(4-methylpiperidin-1-yl)-1,2,4-thiadiazol-3-yl]propan-2-amine?
The InChIKey is FKHNOJKUMQNSNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4OS/c1-12-5-7-20(8-6-12)16-18-15(19-22-16)10-13(2)17-11-14-4-3-9-21-14/h3-4,9,12-13,17H,5-8,10-11H2,1-2H3.
What are the key properties of N-(furan-2-ylmethyl)-1-[5-(4-methylpiperidin-1-yl)-1,2,4-thiadiazol-3-yl]propan-2-amine?
N-(furan-2-ylmethyl)-1-[5-(4-methylpiperidin-1-yl)-1,2,4-thiadiazol-3-yl]propan-2-amine has a molecular weight of 320.46 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-1-[5-(4-methylpiperidin-1-yl)-1,2,4-thiadiazol-3-yl]propan-2-amine is sourced from PubChem (CID 142761640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).