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

C21H24N4O5S — CID 30864375

IUPAC4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-N-(3,4,5-trimethoxyphenyl)piperidine-1-carboxamide
SMILESCOc1cc(NC(=O)N2CCC(c3nnc(-c4ccco4)s3)CC2)cc(OC)c1OC
InChIInChI=1S/C21H24N4O5S/c1-27-16-11-14(12-17(28-2)18(16)29-3)22-21(26)25-8-6-13(7-9-25)19-23-24-20(31-19)15-5-4-10-30-15/h4-5,10-13H,6-9H2,1-3H3,(H,22,26)
InChIKeyHYKVUAXIJFCQFE-UHFFFAOYSA-N
MW444.51 g/mol
LogP4.24
Rot. Bonds6

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

4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-N-(3,4,5-trimethoxyphenyl)piperidine-1-carboxamide (PubChem CID 30864375) has the molecular formula C21H24N4O5S and a molecular weight of 444.51 g/mol. Its IUPAC name is 4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-N-(3,4,5-trimethoxyphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-N-(3,4,5-trimethoxyphenyl)piperidine-1-carboxamide
PubChem CID30864375
Molecular FormulaC21H24N4O5S
Molecular Weight444.51 g/mol
Exact Mass444.15
IUPAC Name4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-N-(3,4,5-trimethoxyphenyl)piperidine-1-carboxamide
SMILESCOc1cc(NC(=O)N2CCC(c3nnc(-c4ccco4)s3)CC2)cc(OC)c1OC
InChIInChI=1S/C21H24N4O5S/c1-27-16-11-14(12-17(28-2)18(16)29-3)22-21(26)25-8-6-13(7-9-25)19-23-24-20(31-19)15-5-4-10-30-15/h4-5,10-13H,6-9H2,1-3H3,(H,22,26)
InChIKeyHYKVUAXIJFCQFE-UHFFFAOYSA-N
XLogP4.24
TPSA98.95 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.51
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(4-fluorophenyl)-4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidine-1-carboxamide
CID 30864370
N-(benzo[d][1,3]dioxol-5-yl)-4-(5-(furan-2-yl)-1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide
CID 30864378
4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-N-(2-methoxyphenyl)piperidine-1-carboxamide
CID 30864396
3-(5-(thiophen-2-yl)-1,3,4-oxadiazol-2-yl)-N-(3,4,5-trimethoxyphenyl)piperidine-1-carboxamide
CID 44068202
N-[(Furan-2-YL)methyl]-4-{5-[(4-methoxyphenyl)carbamoyl]-1,3,4-thiadiazol-2-YL}piperidine-1-carboxamide
CID 46376467
3-(5-(thiophen-3-yl)-1,3,4-oxadiazol-2-yl)-N-(3,4,5-trimethoxyphenyl)piperidine-1-carboxamide
CID 76146424
4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]-N-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide
CID 30464322
(3R)-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)-N-(3,4,5-trimethoxyphenyl)piperidine-1-carboxamide
CID 30863781
(3S)-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)-N-(3,4,5-trimethoxyphenyl)piperidine-1-carboxamide
CID 30863785
4-(5-(furan-2-yl)-1,3,4-oxadiazol-2-yl)-N-(3,4,5-trimethoxyphenyl)piperidine-1-carboxamide
CID 44067517
4-(5-(furan-2-yl)-1,3,4-oxadiazol-2-yl)-N-(3-methoxyphenyl)piperidine-1-carboxamide
CID 44067529
N-(3,5-dimethoxyphenyl)-4-(5-(furan-2-yl)-1,3,4-oxadiazol-2-yl)piperidine-1-carboxamide
CID 44067537

Frequently Asked Questions

What is the IUPAC name of 4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-N-(3,4,5-trimethoxyphenyl)piperidine-1-carboxamide?
The IUPAC name of 4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-N-(3,4,5-trimethoxyphenyl)piperidine-1-carboxamide (CID 30864375) is 4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-N-(3,4,5-trimethoxyphenyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-N-(3,4,5-trimethoxyphenyl)piperidine-1-carboxamide?
The canonical SMILES for 4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-N-(3,4,5-trimethoxyphenyl)piperidine-1-carboxamide is COc1cc(NC(=O)N2CCC(c3nnc(-c4ccco4)s3)CC2)cc(OC)c1OC.
What is the InChIKey of 4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-N-(3,4,5-trimethoxyphenyl)piperidine-1-carboxamide?
The InChIKey is HYKVUAXIJFCQFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O5S/c1-27-16-11-14(12-17(28-2)18(16)29-3)22-21(26)25-8-6-13(7-9-25)19-23-24-20(31-19)15-5-4-10-30-15/h4-5,10-13H,6-9H2,1-3H3,(H,22,26).
What are the key properties of 4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-N-(3,4,5-trimethoxyphenyl)piperidine-1-carboxamide?
4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-N-(3,4,5-trimethoxyphenyl)piperidine-1-carboxamide has a molecular weight of 444.51 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-N-(3,4,5-trimethoxyphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 30864375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).