1-(furan-3-carbonyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide

C14H16N4O3S — CID 46577074

IUPAC1-(furan-3-carbonyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
SMILESCc1nnc(NC(=O)C2CCCN(C(=O)c3ccoc3)C2)s1
InChIInChI=1S/C14H16N4O3S/c1-9-16-17-14(22-9)15-12(19)10-3-2-5-18(7-10)13(20)11-4-6-21-8-11/h4,6,8,10H,2-3,5,7H2,1H3,(H,15,17,19)
InChIKeyXICAQAHCPFTCPF-UHFFFAOYSA-N
MW320.37 g/mol
LogP1.93
Rot. Bonds3

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

1-(furan-3-carbonyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide (PubChem CID 46577074) has the molecular formula C14H16N4O3S and a molecular weight of 320.37 g/mol. Its IUPAC name is 1-(furan-3-carbonyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(furan-3-carbonyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
PubChem CID46577074
Molecular FormulaC14H16N4O3S
Molecular Weight320.37 g/mol
Exact Mass320.09
IUPAC Name1-(furan-3-carbonyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
SMILESCc1nnc(NC(=O)C2CCCN(C(=O)c3ccoc3)C2)s1
InChIInChI=1S/C14H16N4O3S/c1-9-16-17-14(22-9)15-12(19)10-3-2-5-18(7-10)13(20)11-4-6-21-8-11/h4,6,8,10H,2-3,5,7H2,1H3,(H,15,17,19)
InChIKeyXICAQAHCPFTCPF-UHFFFAOYSA-N
XLogP1.93
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3S)-N-ethyl-1-(furan-3-carbonyl)piperidine-3-carboxamide
CID 30830527
N-(6-chloro-1,3-benzothiazol-2-yl)-1-(furan-3-carbonyl)piperidine-3-carboxamide
CID 43054844
methyl 4-[[1-(furan-3-carbonyl)piperidine-3-carbonyl]amino]benzoate
CID 46568061
N-(3,4-dichlorophenyl)-1-(furan-3-carbonyl)piperidine-3-carboxamide
CID 46568104
N-(2-bromo-4-methylphenyl)-1-(furan-3-carbonyl)piperidine-3-carboxamide
CID 42948198
N-(3,5-dichlorophenyl)-1-(furan-3-carbonyl)piperidine-3-carboxamide
CID 42948171
methyl (3S)-1-(furan-3-carbonyl)piperidine-3-carboxylate
CID 78919632
N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 47027078
ethyl 2-[[1-(furan-3-carbonyl)piperidine-3-carbonyl]amino]-4-methyl-5-(methylcarbamoyl)thiophene-3-carboxylate
CID 43054937
(3S)-1-(furan-3-carbonyl)-N-(2-pyrrolidin-1-ylphenyl)piperidine-3-carboxamide
CID 30806067
(3R)-1-(furan-3-carbonyl)-N-(2-methyl-5-nitrophenyl)piperidine-3-carboxamide
CID 30804053
N-(2,4-difluorophenyl)-1-(furan-3-carbonyl)piperidine-3-carboxamide
CID 46569045

Frequently Asked Questions

What is the IUPAC name of 1-(furan-3-carbonyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide?
The IUPAC name of 1-(furan-3-carbonyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide (CID 46577074) is 1-(furan-3-carbonyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(furan-3-carbonyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide?
The canonical SMILES for 1-(furan-3-carbonyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide is Cc1nnc(NC(=O)C2CCCN(C(=O)c3ccoc3)C2)s1.
What is the InChIKey of 1-(furan-3-carbonyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide?
The InChIKey is XICAQAHCPFTCPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3S/c1-9-16-17-14(22-9)15-12(19)10-3-2-5-18(7-10)13(20)11-4-6-21-8-11/h4,6,8,10H,2-3,5,7H2,1H3,(H,15,17,19).
What are the key properties of 1-(furan-3-carbonyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide?
1-(furan-3-carbonyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide has a molecular weight of 320.37 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-3-carbonyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 46577074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).