(2S,3aR,7aR)-N,N-dimethyl-6-(5-methyl-1,3,4-thiadiazol-2-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide

C13H20N4O2S — CID 124811934

IUPAC(2S,3aR,7aR)-N,N-dimethyl-6-(5-methyl-1,3,4-thiadiazol-2-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
SMILESCc1nnc(N2CC[C@@H]3C[C@@H](C(=O)N(C)C)O[C@H]3C2)s1
InChIInChI=1S/C13H20N4O2S/c1-8-14-15-13(20-8)17-5-4-9-6-10(12(18)16(2)3)19-11(9)7-17/h9-11H,4-7H2,1-3H3/t9-,10+,11+/m1/s1
InChIKeyYNSOJFGXVPMZMO-VWYCJHECSA-N
MW296.40 g/mol
LogP0.92
Rot. Bonds2

About (2S,3aR,7aR)-N,N-dimethyl-6-(5-methyl-1,3,4-thiadiazol-2-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide

(2S,3aR,7aR)-N,N-dimethyl-6-(5-methyl-1,3,4-thiadiazol-2-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide (PubChem CID 124811934) has the molecular formula C13H20N4O2S and a molecular weight of 296.40 g/mol. Its IUPAC name is (2S,3aR,7aR)-N,N-dimethyl-6-(5-methyl-1,3,4-thiadiazol-2-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name(2S,3aR,7aR)-N,N-dimethyl-6-(5-methyl-1,3,4-thiadiazol-2-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
PubChem CID124811934
Molecular FormulaC13H20N4O2S
Molecular Weight296.40 g/mol
Exact Mass296.13
IUPAC Name(2S,3aR,7aR)-N,N-dimethyl-6-(5-methyl-1,3,4-thiadiazol-2-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
SMILESCc1nnc(N2CC[C@@H]3C[C@@H](C(=O)N(C)C)O[C@H]3C2)s1
InChIInChI=1S/C13H20N4O2S/c1-8-14-15-13(20-8)17-5-4-9-6-10(12(18)16(2)3)19-11(9)7-17/h9-11H,4-7H2,1-3H3/t9-,10+,11+/m1/s1
InChIKeyYNSOJFGXVPMZMO-VWYCJHECSA-N
XLogP0.92
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (2S,3aR,7aR)-N,N-dimethyl-6-(5-methyl-1,3,4-thiadiazol-2-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S,3aR,7aR)-N,N-dimethyl-6-(5-methyl-1,3,4-thiadiazol-2-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide?
The IUPAC name of (2S,3aR,7aR)-N,N-dimethyl-6-(5-methyl-1,3,4-thiadiazol-2-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide (CID 124811934) is (2S,3aR,7aR)-N,N-dimethyl-6-(5-methyl-1,3,4-thiadiazol-2-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for (2S,3aR,7aR)-N,N-dimethyl-6-(5-methyl-1,3,4-thiadiazol-2-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for (2S,3aR,7aR)-N,N-dimethyl-6-(5-methyl-1,3,4-thiadiazol-2-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide is Cc1nnc(N2CC[C@@H]3C[C@@H](C(=O)N(C)C)O[C@H]3C2)s1.
What is the InChIKey of (2S,3aR,7aR)-N,N-dimethyl-6-(5-methyl-1,3,4-thiadiazol-2-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide?
The InChIKey is YNSOJFGXVPMZMO-VWYCJHECSA-N. The full InChI is InChI=1S/C13H20N4O2S/c1-8-14-15-13(20-8)17-5-4-9-6-10(12(18)16(2)3)19-11(9)7-17/h9-11H,4-7H2,1-3H3/t9-,10+,11+/m1/s1.
What are the key properties of (2S,3aR,7aR)-N,N-dimethyl-6-(5-methyl-1,3,4-thiadiazol-2-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide?
(2S,3aR,7aR)-N,N-dimethyl-6-(5-methyl-1,3,4-thiadiazol-2-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide has a molecular weight of 296.40 g/mol, XLogP of 0.92, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3aR,7aR)-N,N-dimethyl-6-(5-methyl-1,3,4-thiadiazol-2-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 124811934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).