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

C16H22N4O2S — CID 30864363

IUPACN-tert-butyl-4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidine-1-carboxamide
SMILESCC(C)(C)NC(=O)N1CCC(c2nnc(-c3ccco3)s2)CC1
InChIInChI=1S/C16H22N4O2S/c1-16(2,3)17-15(21)20-8-6-11(7-9-20)13-18-19-14(23-13)12-5-4-10-22-12/h4-5,10-11H,6-9H2,1-3H3,(H,17,21)
InChIKeyXLYVSMZGZNSJGA-UHFFFAOYSA-N
MW334.45 g/mol
LogP3.49
Rot. Bonds2

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

N-tert-butyl-4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidine-1-carboxamide (PubChem CID 30864363) has the molecular formula C16H22N4O2S and a molecular weight of 334.45 g/mol. Its IUPAC name is N-tert-butyl-4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidine-1-carboxamide
PubChem CID30864363
Molecular FormulaC16H22N4O2S
Molecular Weight334.45 g/mol
Exact Mass334.15
IUPAC NameN-tert-butyl-4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidine-1-carboxamide
SMILESCC(C)(C)NC(=O)N1CCC(c2nnc(-c3ccco3)s2)CC1
InChIInChI=1S/C16H22N4O2S/c1-16(2,3)17-15(21)20-8-6-11(7-9-20)13-18-19-14(23-13)12-5-4-10-22-12/h4-5,10-11H,6-9H2,1-3H3,(H,17,21)
InChIKeyXLYVSMZGZNSJGA-UHFFFAOYSA-N
XLogP3.49
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.45
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-fluorobenzyl)-4-(5-(furan-2-yl)-1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide
CID 30864365
N-(4-fluorophenyl)-4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidine-1-carboxamide
CID 30864370
1-{4-[5-(2-Furyl)-1,3,4-thiadiazol-2-yl]-1-piperidyl}-1-ethanone
CID 30864160
Cyclopropyl(4-(5-(furan-2-yl)-1,3,4-thiadiazol-2-yl)piperidin-1-yl)methanone
CID 30864163
(2-Furyl){4-[5-(2-furyl)-1,3,4-thiadiazol-2-yl]-1-piperidyl}methanone
CID 30864166
(4-(5-(Furan-2-yl)-1,3,4-thiadiazol-2-yl)piperidin-1-yl)(phenyl)methanone
CID 30864180
1-(4-(5-(Furan-2-yl)-1,3,4-thiadiazol-2-yl)piperidin-1-yl)-2-phenoxyethanone
CID 30864190
Ethyl 4-(4-(5-(furan-2-yl)-1,3,4-thiadiazol-2-yl)piperidin-1-yl)-4-oxobutanoate
CID 30864196
2-(Furan-2-yl)-5-(1-(methylsulfonyl)piperidin-4-yl)-1,3,4-thiadiazole
CID 30864266
1-(2-((4-(5-(Furan-2-yl)-1,3,4-thiadiazol-2-yl)piperidin-1-yl)sulfonyl)ethyl)piperidine-2,6-dione
CID 30864283
2-(Furan-2-yl)-5-(1-(propylsulfonyl)piperidin-4-yl)-1,3,4-thiadiazole
CID 30864291
4-(5-(furan-2-yl)-1,3,4-thiadiazol-2-yl)-N-phenethylpiperidine-1-carboxamide
CID 30864367

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidine-1-carboxamide?
The IUPAC name of N-tert-butyl-4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidine-1-carboxamide (CID 30864363) is N-tert-butyl-4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-tert-butyl-4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidine-1-carboxamide?
The canonical SMILES for N-tert-butyl-4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidine-1-carboxamide is CC(C)(C)NC(=O)N1CCC(c2nnc(-c3ccco3)s2)CC1.
What is the InChIKey of N-tert-butyl-4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidine-1-carboxamide?
The InChIKey is XLYVSMZGZNSJGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2S/c1-16(2,3)17-15(21)20-8-6-11(7-9-20)13-18-19-14(23-13)12-5-4-10-22-12/h4-5,10-11H,6-9H2,1-3H3,(H,17,21).
What are the key properties of N-tert-butyl-4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidine-1-carboxamide?
N-tert-butyl-4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidine-1-carboxamide has a molecular weight of 334.45 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidine-1-carboxamide is sourced from PubChem (CID 30864363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).