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

C15H23N3O2S — CID 124802821

IUPAC(2S,3aR,7aS)-N,N-dimethyl-6-[(4-methyl-1,3-thiazol-5-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
SMILESCc1ncsc1CN1CC[C@@H]2C[C@@H](C(=O)N(C)C)O[C@@H]2C1
InChIInChI=1S/C15H23N3O2S/c1-10-14(21-9-16-10)8-18-5-4-11-6-12(15(19)17(2)3)20-13(11)7-18/h9,11-13H,4-8H2,1-3H3/t11-,12+,13-/m1/s1
InChIKeyDYUGIRMMEJDMRT-FRRDWIJNSA-N
MW309.44 g/mol
LogP1.52
Rot. Bonds3

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

(2S,3aR,7aS)-N,N-dimethyl-6-[(4-methyl-1,3-thiazol-5-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide (PubChem CID 124802821) has the molecular formula C15H23N3O2S and a molecular weight of 309.44 g/mol. Its IUPAC name is (2S,3aR,7aS)-N,N-dimethyl-6-[(4-methyl-1,3-thiazol-5-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name(2S,3aR,7aS)-N,N-dimethyl-6-[(4-methyl-1,3-thiazol-5-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
PubChem CID124802821
Molecular FormulaC15H23N3O2S
Molecular Weight309.44 g/mol
Exact Mass309.15
IUPAC Name(2S,3aR,7aS)-N,N-dimethyl-6-[(4-methyl-1,3-thiazol-5-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
SMILESCc1ncsc1CN1CC[C@@H]2C[C@@H](C(=O)N(C)C)O[C@@H]2C1
InChIInChI=1S/C15H23N3O2S/c1-10-14(21-9-16-10)8-18-5-4-11-6-12(15(19)17(2)3)20-13(11)7-18/h9,11-13H,4-8H2,1-3H3/t11-,12+,13-/m1/s1
InChIKeyDYUGIRMMEJDMRT-FRRDWIJNSA-N
XLogP1.52
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S,3aR,7aR)-N,N-dimethyl-6-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
CID 124806623
(2S,3aR,7aS)-6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,N-dimethyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
CID 124801429
(2S,3aR,7aS)-N,N-dimethyl-6-[(4-methylphenyl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
CID 124807025
(2R,3aS,7aS)-N-(2-methoxyethyl)-6-[(4-methyl-1,3-thiazol-5-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155835193
(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
(3aR,7aR)-N,N-dimethyl-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide
CID 97387253
(2R,3aS,7aS)-N,N-dimethyl-6-(oxan-4-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
CID 97388452
(2R)-N,N,2-trimethyl-4-[(4-methyl-1,3-thiazol-5-yl)methyl]morpholine-2-carboxamide
CID 124946658
N,N-dimethyl-7-[(4-methyl-1,3-thiazol-5-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide
CID 131643863
(6S)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-(oxan-4-yl)-1,4-diazepane-6-carboxamide
CID 125025309
(2R,3aS,7aR)-6-(furan-3-ylmethyl)-N-methyl-N-(pyridin-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
CID 97388672
N,N-dimethyl-7-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 110101005

Frequently Asked Questions

What is the IUPAC name of (2S,3aR,7aS)-N,N-dimethyl-6-[(4-methyl-1,3-thiazol-5-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide?
The IUPAC name of (2S,3aR,7aS)-N,N-dimethyl-6-[(4-methyl-1,3-thiazol-5-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide (CID 124802821) is (2S,3aR,7aS)-N,N-dimethyl-6-[(4-methyl-1,3-thiazol-5-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for (2S,3aR,7aS)-N,N-dimethyl-6-[(4-methyl-1,3-thiazol-5-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for (2S,3aR,7aS)-N,N-dimethyl-6-[(4-methyl-1,3-thiazol-5-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide is Cc1ncsc1CN1CC[C@@H]2C[C@@H](C(=O)N(C)C)O[C@@H]2C1.
What is the InChIKey of (2S,3aR,7aS)-N,N-dimethyl-6-[(4-methyl-1,3-thiazol-5-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide?
The InChIKey is DYUGIRMMEJDMRT-FRRDWIJNSA-N. The full InChI is InChI=1S/C15H23N3O2S/c1-10-14(21-9-16-10)8-18-5-4-11-6-12(15(19)17(2)3)20-13(11)7-18/h9,11-13H,4-8H2,1-3H3/t11-,12+,13-/m1/s1.
What are the key properties of (2S,3aR,7aS)-N,N-dimethyl-6-[(4-methyl-1,3-thiazol-5-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide?
(2S,3aR,7aS)-N,N-dimethyl-6-[(4-methyl-1,3-thiazol-5-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide has a molecular weight of 309.44 g/mol, XLogP of 1.52, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3aR,7aS)-N,N-dimethyl-6-[(4-methyl-1,3-thiazol-5-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 124802821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).