N-(furan-2-ylmethyl)-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide

C17H19N5O2S — CID 5309442

IUPACN-(furan-2-ylmethyl)-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
SMILESO=C(NCc1ccco1)C1CCN(c2nnc(-n3cccc3)s2)CC1
InChIInChI=1S/C17H19N5O2S/c23-15(18-12-14-4-3-11-24-14)13-5-9-22(10-6-13)17-20-19-16(25-17)21-7-1-2-8-21/h1-4,7-8,11,13H,5-6,9-10,12H2,(H,18,23)
InChIKeyTYVHPTFIBPJIBJ-UHFFFAOYSA-N
MW357.44 g/mol
LogP2.45
Rot. Bonds5

About N-(furan-2-ylmethyl)-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide

N-(furan-2-ylmethyl)-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide (PubChem CID 5309442) has the molecular formula C17H19N5O2S and a molecular weight of 357.44 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
PubChem CID5309442
Molecular FormulaC17H19N5O2S
Molecular Weight357.44 g/mol
Exact Mass357.13
IUPAC NameN-(furan-2-ylmethyl)-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
SMILESO=C(NCc1ccco1)C1CCN(c2nnc(-n3cccc3)s2)CC1
InChIInChI=1S/C17H19N5O2S/c23-15(18-12-14-4-3-11-24-14)13-5-9-22(10-6-13)17-20-19-16(25-17)21-7-1-2-8-21/h1-4,7-8,11,13H,5-6,9-10,12H2,(H,18,23)
InChIKeyTYVHPTFIBPJIBJ-UHFFFAOYSA-N
XLogP2.45
TPSA76.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide (CID 5309442) is N-(furan-2-ylmethyl)-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide is O=C(NCc1ccco1)C1CCN(c2nnc(-n3cccc3)s2)CC1.
What is the InChIKey of N-(furan-2-ylmethyl)-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide?
The InChIKey is TYVHPTFIBPJIBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2S/c23-15(18-12-14-4-3-11-24-14)13-5-9-22(10-6-13)17-20-19-16(25-17)21-7-1-2-8-21/h1-4,7-8,11,13H,5-6,9-10,12H2,(H,18,23).
What are the key properties of N-(furan-2-ylmethyl)-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide?
N-(furan-2-ylmethyl)-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide has a molecular weight of 357.44 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 5309442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).