4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-N-(2-methoxyphenyl)piperidine-1-carboxamide

C19H20N4O3S — CID 30864396

IUPAC4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-N-(2-methoxyphenyl)piperidine-1-carboxamide
SMILESCOc1ccccc1NC(=O)N1CCC(c2nnc(-c3ccco3)s2)CC1
InChIInChI=1S/C19H20N4O3S/c1-25-15-6-3-2-5-14(15)20-19(24)23-10-8-13(9-11-23)17-21-22-18(27-17)16-7-4-12-26-16/h2-7,12-13H,8-11H2,1H3,(H,20,24)
InChIKeyLNFRCKXPKKGTND-UHFFFAOYSA-N
MW384.46 g/mol
LogP4.22
Rot. Bonds4

About 4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-N-(2-methoxyphenyl)piperidine-1-carboxamide

4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-N-(2-methoxyphenyl)piperidine-1-carboxamide (PubChem CID 30864396) has the molecular formula C19H20N4O3S and a molecular weight of 384.46 g/mol. Its IUPAC name is 4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-N-(2-methoxyphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-N-(2-methoxyphenyl)piperidine-1-carboxamide
PubChem CID30864396
Molecular FormulaC19H20N4O3S
Molecular Weight384.46 g/mol
Exact Mass384.13
IUPAC Name4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-N-(2-methoxyphenyl)piperidine-1-carboxamide
SMILESCOc1ccccc1NC(=O)N1CCC(c2nnc(-c3ccco3)s2)CC1
InChIInChI=1S/C19H20N4O3S/c1-25-15-6-3-2-5-14(15)20-19(24)23-10-8-13(9-11-23)17-21-22-18(27-17)16-7-4-12-26-16/h2-7,12-13H,8-11H2,1H3,(H,20,24)
InChIKeyLNFRCKXPKKGTND-UHFFFAOYSA-N
XLogP4.22
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-N-(2-methoxyphenyl)piperidine-1-carboxamide?
The IUPAC name of 4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-N-(2-methoxyphenyl)piperidine-1-carboxamide (CID 30864396) is 4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-N-(2-methoxyphenyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-N-(2-methoxyphenyl)piperidine-1-carboxamide?
The canonical SMILES for 4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-N-(2-methoxyphenyl)piperidine-1-carboxamide is COc1ccccc1NC(=O)N1CCC(c2nnc(-c3ccco3)s2)CC1.
What is the InChIKey of 4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-N-(2-methoxyphenyl)piperidine-1-carboxamide?
The InChIKey is LNFRCKXPKKGTND-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3S/c1-25-15-6-3-2-5-14(15)20-19(24)23-10-8-13(9-11-23)17-21-22-18(27-17)16-7-4-12-26-16/h2-7,12-13H,8-11H2,1H3,(H,20,24).
What are the key properties of 4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-N-(2-methoxyphenyl)piperidine-1-carboxamide?
4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-N-(2-methoxyphenyl)piperidine-1-carboxamide has a molecular weight of 384.46 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-N-(2-methoxyphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 30864396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).