6-[2-[(3S,3aS,6aS)-5-(1,3-thiazole-4-carbonyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]ethoxy]pyridine-3-carbonitrile

C18H18N4O3S — CID 124784620

IUPAC6-[2-[(3S,3aS,6aS)-5-(1,3-thiazole-4-carbonyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]ethoxy]pyridine-3-carbonitrile
SMILESN#Cc1ccc(OCC[C@@H]2CO[C@@H]3CN(C(=O)c4cscn4)C[C@H]23)nc1
InChIInChI=1S/C18H18N4O3S/c19-5-12-1-2-17(20-6-12)24-4-3-13-9-25-16-8-22(7-14(13)16)18(23)15-10-26-11-21-15/h1-2,6,10-11,13-14,16H,3-4,7-9H2/t13-,14-,16-/m1/s1
InChIKeyRCHSOILXRKPGNU-IIAWOOMASA-N
MW370.43 g/mol
LogP1.97
Rot. Bonds5

About 6-[2-[(3S,3aS,6aS)-5-(1,3-thiazole-4-carbonyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]ethoxy]pyridine-3-carbonitrile

6-[2-[(3S,3aS,6aS)-5-(1,3-thiazole-4-carbonyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]ethoxy]pyridine-3-carbonitrile (PubChem CID 124784620) has the molecular formula C18H18N4O3S and a molecular weight of 370.43 g/mol. Its IUPAC name is 6-[2-[(3S,3aS,6aS)-5-(1,3-thiazole-4-carbonyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]ethoxy]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[2-[(3S,3aS,6aS)-5-(1,3-thiazole-4-carbonyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]ethoxy]pyridine-3-carbonitrile
PubChem CID124784620
Molecular FormulaC18H18N4O3S
Molecular Weight370.43 g/mol
Exact Mass370.11
IUPAC Name6-[2-[(3S,3aS,6aS)-5-(1,3-thiazole-4-carbonyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]ethoxy]pyridine-3-carbonitrile
SMILESN#Cc1ccc(OCC[C@@H]2CO[C@@H]3CN(C(=O)c4cscn4)C[C@H]23)nc1
InChIInChI=1S/C18H18N4O3S/c19-5-12-1-2-17(20-6-12)24-4-3-13-9-25-16-8-22(7-14(13)16)18(23)15-10-26-11-21-15/h1-2,6,10-11,13-14,16H,3-4,7-9H2/t13-,14-,16-/m1/s1
InChIKeyRCHSOILXRKPGNU-IIAWOOMASA-N
XLogP1.97
TPSA88.34 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-[2-[(3S,3aS,6aS)-5-(1,3-thiazole-4-carbonyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]ethoxy]pyridine-3-carbonitrile with MolForge

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Related Compounds

6-[2-[(3R,3aR,6aR)-5-(6-methoxypyrimidin-4-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]ethoxy]pyridine-3-carbonitrile;bis(2,2,2-trifluoroacetic acid)
CID 155852896
6-[2-[(3R,3aR,6aR)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]ethoxy]pyridine-3-carbonitrile;2,2,2-trifluoroacetic acid
CID 171697277
[(3R,3aR,6aR)-3-(2-pyridin-3-yloxyethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-pyrazin-2-ylmethanone
CID 124790727
[(3S,3aS,6aS)-3-(2-pyridin-2-yloxyethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(2-methylpyrazol-3-yl)methanone
CID 133142960
(3-ethyl-4-hydroxypyrrolidin-1-yl)-(1,3-thiazol-4-yl)methanone
CID 130914065
6-[2-[4-(3,4-dichlorophenyl)-1-(6-methoxypyridine-3-carbonyl)pyrrolidin-3-yl]ethoxy]pyridine-3-carbonitrile
CID 68728972
[(3R,3aR,6aR)-3-[2-(4-methylpyrimidin-2-yl)oxyethyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 124893526
6-[2-[4-(3,4-dichlorophenyl)-1-(6-methylpyridine-3-carbonyl)pyrrolidin-3-yl]ethoxy]pyridine-3-carbonitrile
CID 68728044
[(3R,3aR,6aR)-3-(2-pyridin-2-yloxyethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(2-methylpyrazol-3-yl)methanone;2,2,2-trifluoroacetic acid
CID 155844766
6-[2-[4-(3,4-dichlorophenyl)-1-(2,4-dimethylpyrimidine-5-carbonyl)pyrrolidin-3-yl]ethoxy]pyridine-3-carbonitrile
CID 68727944
6-(3,4-dimethylpyrrolidine-1-carbonyl)pyridine-3-carbonitrile
CID 79036597
(2,6-dimethylmorpholin-4-yl)-(1,3-thiazol-4-yl)methanone
CID 63037738

Frequently Asked Questions

What is the IUPAC name of 6-[2-[(3S,3aS,6aS)-5-(1,3-thiazole-4-carbonyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]ethoxy]pyridine-3-carbonitrile?
The IUPAC name of 6-[2-[(3S,3aS,6aS)-5-(1,3-thiazole-4-carbonyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]ethoxy]pyridine-3-carbonitrile (CID 124784620) is 6-[2-[(3S,3aS,6aS)-5-(1,3-thiazole-4-carbonyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]ethoxy]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[2-[(3S,3aS,6aS)-5-(1,3-thiazole-4-carbonyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]ethoxy]pyridine-3-carbonitrile?
The canonical SMILES for 6-[2-[(3S,3aS,6aS)-5-(1,3-thiazole-4-carbonyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]ethoxy]pyridine-3-carbonitrile is N#Cc1ccc(OCC[C@@H]2CO[C@@H]3CN(C(=O)c4cscn4)C[C@H]23)nc1.
What is the InChIKey of 6-[2-[(3S,3aS,6aS)-5-(1,3-thiazole-4-carbonyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]ethoxy]pyridine-3-carbonitrile?
The InChIKey is RCHSOILXRKPGNU-IIAWOOMASA-N. The full InChI is InChI=1S/C18H18N4O3S/c19-5-12-1-2-17(20-6-12)24-4-3-13-9-25-16-8-22(7-14(13)16)18(23)15-10-26-11-21-15/h1-2,6,10-11,13-14,16H,3-4,7-9H2/t13-,14-,16-/m1/s1.
What are the key properties of 6-[2-[(3S,3aS,6aS)-5-(1,3-thiazole-4-carbonyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]ethoxy]pyridine-3-carbonitrile?
6-[2-[(3S,3aS,6aS)-5-(1,3-thiazole-4-carbonyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]ethoxy]pyridine-3-carbonitrile has a molecular weight of 370.43 g/mol, XLogP of 1.97, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[(3S,3aS,6aS)-5-(1,3-thiazole-4-carbonyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]ethoxy]pyridine-3-carbonitrile is sourced from PubChem (CID 124784620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).