[(3R,3aR,6aR)-3-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]ethyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(3-methylfuran-2-yl)methanone

C19H24N2O4S — CID 124893498

IUPAC[(3R,3aR,6aR)-3-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]ethyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(3-methylfuran-2-yl)methanone
SMILESCc1nc(COCC[C@H]2CO[C@H]3CN(C(=O)c4occc4C)C[C@@H]23)cs1
InChIInChI=1S/C19H24N2O4S/c1-12-3-6-24-18(12)19(22)21-7-16-14(9-25-17(16)8-21)4-5-23-10-15-11-26-13(2)20-15/h3,6,11,14,16-17H,4-5,7-10H2,1-2H3/t14-,16-,17-/m0/s1
InChIKeyKNUDPWJHRNCEGS-XIRDDKMYSA-N
MW376.48 g/mol
LogP3.05
Rot. Bonds6

About [(3R,3aR,6aR)-3-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]ethyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(3-methylfuran-2-yl)methanone

[(3R,3aR,6aR)-3-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]ethyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(3-methylfuran-2-yl)methanone (PubChem CID 124893498) has the molecular formula C19H24N2O4S and a molecular weight of 376.48 g/mol. Its IUPAC name is [(3R,3aR,6aR)-3-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]ethyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(3-methylfuran-2-yl)methanone.

Molecular Properties

Compound Name[(3R,3aR,6aR)-3-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]ethyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(3-methylfuran-2-yl)methanone
PubChem CID124893498
Molecular FormulaC19H24N2O4S
Molecular Weight376.48 g/mol
Exact Mass376.15
IUPAC Name[(3R,3aR,6aR)-3-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]ethyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(3-methylfuran-2-yl)methanone
SMILESCc1nc(COCC[C@H]2CO[C@H]3CN(C(=O)c4occc4C)C[C@@H]23)cs1
InChIInChI=1S/C19H24N2O4S/c1-12-3-6-24-18(12)19(22)21-7-16-14(9-25-17(16)8-21)4-5-23-10-15-11-26-13(2)20-15/h3,6,11,14,16-17H,4-5,7-10H2,1-2H3/t14-,16-,17-/m0/s1
InChIKeyKNUDPWJHRNCEGS-XIRDDKMYSA-N
XLogP3.05
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze [(3R,3aR,6aR)-3-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]ethyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(3-methylfuran-2-yl)methanone with MolForge

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Related Compounds

(3-methylfuran-2-yl)-[(8R)-8-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone
CID 124809590
(3R,3aR,6aR)-5-(5-fluoropyrimidin-2-yl)-3-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]ethyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole;2,2,2-trifluoroacetic acid
CID 155852511
(3-methylfuran-2-yl)-[(7S)-7-[(2-methyl-1,3-thiazol-4-yl)methoxy]-5-thia-2-azaspiro[3.4]octan-2-yl]methanone
CID 124893632
(3-methylfuran-2-yl)-[7-[(2-methyl-1,3-thiazol-4-yl)methoxy]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone
CID 133140267
(6S)-4-(3-methylfuran-2-carbonyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-(pyridin-2-ylmethoxy)-1,4-diazepan-2-one
CID 26144470
[(3R,3aR,6aR)-3-[2-[(6-methyl-2-pyridinyl)methoxy]ethyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-pyrrolidin-1-ylmethanone;2,2,2-trifluoroacetic acid
CID 155852226
[(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
[(3S,5R)-3,5-dimethylpiperidin-1-yl]-(3-methylfuran-2-yl)methanone
CID 94182752
(4-methyl-1,3-oxazol-5-yl)-[8-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone
CID 131646234
[(3S,3aS,6aS)-3-(2-methoxyethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(3,5-difluorophenyl)methanone
CID 124795595
[(5aR,8aR)-4-(cyclopropylmethyl)-3,5,5a,6,8,8a-hexahydro-2H-pyrrolo[3,4-f][1,4]oxazepin-7-yl]-(3-methylfuran-2-yl)methanone
CID 124893675
[(3aR,6aR)-3a-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-pyridin-2-ylmethanone
CID 97484600

Frequently Asked Questions

What is the IUPAC name of [(3R,3aR,6aR)-3-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]ethyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(3-methylfuran-2-yl)methanone?
The IUPAC name of [(3R,3aR,6aR)-3-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]ethyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(3-methylfuran-2-yl)methanone (CID 124893498) is [(3R,3aR,6aR)-3-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]ethyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(3-methylfuran-2-yl)methanone.
What is the SMILES notation for [(3R,3aR,6aR)-3-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]ethyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(3-methylfuran-2-yl)methanone?
The canonical SMILES for [(3R,3aR,6aR)-3-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]ethyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(3-methylfuran-2-yl)methanone is Cc1nc(COCC[C@H]2CO[C@H]3CN(C(=O)c4occc4C)C[C@@H]23)cs1.
What is the InChIKey of [(3R,3aR,6aR)-3-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]ethyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(3-methylfuran-2-yl)methanone?
The InChIKey is KNUDPWJHRNCEGS-XIRDDKMYSA-N. The full InChI is InChI=1S/C19H24N2O4S/c1-12-3-6-24-18(12)19(22)21-7-16-14(9-25-17(16)8-21)4-5-23-10-15-11-26-13(2)20-15/h3,6,11,14,16-17H,4-5,7-10H2,1-2H3/t14-,16-,17-/m0/s1.
What are the key properties of [(3R,3aR,6aR)-3-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]ethyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(3-methylfuran-2-yl)methanone?
[(3R,3aR,6aR)-3-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]ethyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(3-methylfuran-2-yl)methanone has a molecular weight of 376.48 g/mol, XLogP of 3.05, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,3aR,6aR)-3-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]ethyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(3-methylfuran-2-yl)methanone is sourced from PubChem (CID 124893498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).