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

C15H18N4O3S — CID 29410855

IUPAC(3R)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(furan-2-carbonyl)piperidine-3-carboxamide
SMILESCCc1nnc(NC(=O)[C@@H]2CCCN(C(=O)c3ccco3)C2)s1
InChIInChI=1S/C15H18N4O3S/c1-2-12-17-18-15(23-12)16-13(20)10-5-3-7-19(9-10)14(21)11-6-4-8-22-11/h4,6,8,10H,2-3,5,7,9H2,1H3,(H,16,18,20)/t10-/m1/s1
InChIKeyVXOKDKYKXOPDIK-SNVBAGLBSA-N
MW334.40 g/mol
LogP2.18
Rot. Bonds4

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

(3R)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(furan-2-carbonyl)piperidine-3-carboxamide (PubChem CID 29410855) has the molecular formula C15H18N4O3S and a molecular weight of 334.40 g/mol. Its IUPAC name is (3R)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(furan-2-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(furan-2-carbonyl)piperidine-3-carboxamide
PubChem CID29410855
Molecular FormulaC15H18N4O3S
Molecular Weight334.40 g/mol
Exact Mass334.11
IUPAC Name(3R)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(furan-2-carbonyl)piperidine-3-carboxamide
SMILESCCc1nnc(NC(=O)[C@@H]2CCCN(C(=O)c3ccco3)C2)s1
InChIInChI=1S/C15H18N4O3S/c1-2-12-17-18-15(23-12)16-13(20)10-5-3-7-19(9-10)14(21)11-6-4-8-22-11/h4,6,8,10H,2-3,5,7,9H2,1H3,(H,16,18,20)/t10-/m1/s1
InChIKeyVXOKDKYKXOPDIK-SNVBAGLBSA-N
XLogP2.18
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-ethylphenyl)-1-(furan-2-carbonyl)piperidine-3-carboxamide
CID 46516477
(3R)-1-(furan-2-carbonyl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 51930797
1-benzoyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 136524415
N-[5-(benzylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]-1-(furan-2-carbonyl)piperidine-4-carboxamide
CID 6497508
1-(furan-2-carbonyl)-N-[5-(phenylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
CID 6463563
N-[3-(2,2-dimethylpropanoylamino)phenyl]-1-(furan-2-carbonyl)piperidine-3-carboxamide
CID 42942172
(3R)-3-N-(5-benzyl-1,3,4-thiadiazol-2-yl)-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
CID 94161596
1-(furan-2-carbonyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 27831080
N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 47027078
N-(3-acetylphenyl)-1-(furan-2-carbonyl)piperidine-3-carboxamide
CID 42895769
1-N,1-N-dimethyl-3-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]piperidine-1,3-dicarboxamide
CID 56921075
N-(2,3-dichlorophenyl)-1-(furan-2-carbonyl)piperidine-3-carboxamide
CID 42938602

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(furan-2-carbonyl)piperidine-3-carboxamide?
The IUPAC name of (3R)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(furan-2-carbonyl)piperidine-3-carboxamide (CID 29410855) is (3R)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(furan-2-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(furan-2-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(furan-2-carbonyl)piperidine-3-carboxamide is CCc1nnc(NC(=O)[C@@H]2CCCN(C(=O)c3ccco3)C2)s1.
What is the InChIKey of (3R)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(furan-2-carbonyl)piperidine-3-carboxamide?
The InChIKey is VXOKDKYKXOPDIK-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H18N4O3S/c1-2-12-17-18-15(23-12)16-13(20)10-5-3-7-19(9-10)14(21)11-6-4-8-22-11/h4,6,8,10H,2-3,5,7,9H2,1H3,(H,16,18,20)/t10-/m1/s1.
What are the key properties of (3R)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(furan-2-carbonyl)piperidine-3-carboxamide?
(3R)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(furan-2-carbonyl)piperidine-3-carboxamide has a molecular weight of 334.40 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(furan-2-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 29410855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).