(3S,3aR,6aR)-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-pyridin-3-yl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole-3-carboxamide

C17H20N4O2S — CID 124803531

IUPAC(3S,3aR,6aR)-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-pyridin-3-yl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole-3-carboxamide
SMILESCc1nc(CN2C[C@@H]3[C@H](C2)OC[C@H]3C(=O)Nc2cccnc2)cs1
InChIInChI=1S/C17H20N4O2S/c1-11-19-13(10-24-11)6-21-7-14-15(9-23-16(14)8-21)17(22)20-12-3-2-4-18-5-12/h2-5,10,14-16H,6-9H2,1H3,(H,20,22)/t14-,15+,16-/m0/s1
InChIKeyQBDFKMNJQRSMRD-XHSDSOJGSA-N
MW344.44 g/mol
LogP1.93
Rot. Bonds4

About (3S,3aR,6aR)-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-pyridin-3-yl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole-3-carboxamide

(3S,3aR,6aR)-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-pyridin-3-yl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole-3-carboxamide (PubChem CID 124803531) has the molecular formula C17H20N4O2S and a molecular weight of 344.44 g/mol. Its IUPAC name is (3S,3aR,6aR)-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-pyridin-3-yl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole-3-carboxamide.

Molecular Properties

Compound Name(3S,3aR,6aR)-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-pyridin-3-yl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole-3-carboxamide
PubChem CID124803531
Molecular FormulaC17H20N4O2S
Molecular Weight344.44 g/mol
Exact Mass344.13
IUPAC Name(3S,3aR,6aR)-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-pyridin-3-yl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole-3-carboxamide
SMILESCc1nc(CN2C[C@@H]3[C@H](C2)OC[C@H]3C(=O)Nc2cccnc2)cs1
InChIInChI=1S/C17H20N4O2S/c1-11-19-13(10-24-11)6-21-7-14-15(9-23-16(14)8-21)17(22)20-12-3-2-4-18-5-12/h2-5,10,14-16H,6-9H2,1H3,(H,20,22)/t14-,15+,16-/m0/s1
InChIKeyQBDFKMNJQRSMRD-XHSDSOJGSA-N
XLogP1.93
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3S,3aR,6aR)-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-pyridin-3-yl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole-3-carboxamide with MolForge

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Related Compounds

(3aS,4R,7aS)-N-pyridin-3-yl-6-(thiophen-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-4-carboxamide
CID 97387978
4-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-pyridin-3-yl-1,4-diazepane-1-carboxamide
CID 154837717
(3R,3aS,6aS)-5-(oxan-4-yl)-N-pyridin-3-yl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole-3-carboxamide
CID 97486367
2-[(3R,3aS,6aS)-5-(furan-2-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]-N-pyridin-3-ylacetamide
CID 97483892
2-[(3S,3aS,6aS)-5-(thiophen-3-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]-N-pyridin-3-ylacetamide
CID 97482678
(3aS,4R,7aS)-N-cyclobutyl-6-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-4-carboxamide
CID 97365019
N-[[(3R,3aR,6aR)-5-[(4-methyl-1,3-thiazol-2-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyridine-3-carboxamide
CID 124804382
(4R,4aR,8aR)-6-(furan-2-ylmethyl)-N-pyridin-3-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide
CID 97388717
(3aS,4R,7aS)-6-[(3-methoxyphenyl)methyl]-N-pyridin-3-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-4-carboxamide
CID 155875444
2-[(3S,3aS,6aS)-5-(5-methyl-1,3,4-thiadiazol-2-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]-N-pyridin-3-ylacetamide
CID 97477952
N-[[(3R,3aR,6aR)-5-[(6-methyl-2-pyridinyl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 124796669
(2S)-4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-N-phenylmorpholine-2-carboxamide
CID 92633198

Frequently Asked Questions

What is the IUPAC name of (3S,3aR,6aR)-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-pyridin-3-yl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole-3-carboxamide?
The IUPAC name of (3S,3aR,6aR)-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-pyridin-3-yl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole-3-carboxamide (CID 124803531) is (3S,3aR,6aR)-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-pyridin-3-yl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole-3-carboxamide.
What is the SMILES notation for (3S,3aR,6aR)-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-pyridin-3-yl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole-3-carboxamide?
The canonical SMILES for (3S,3aR,6aR)-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-pyridin-3-yl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole-3-carboxamide is Cc1nc(CN2C[C@@H]3[C@H](C2)OC[C@H]3C(=O)Nc2cccnc2)cs1.
What is the InChIKey of (3S,3aR,6aR)-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-pyridin-3-yl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole-3-carboxamide?
The InChIKey is QBDFKMNJQRSMRD-XHSDSOJGSA-N. The full InChI is InChI=1S/C17H20N4O2S/c1-11-19-13(10-24-11)6-21-7-14-15(9-23-16(14)8-21)17(22)20-12-3-2-4-18-5-12/h2-5,10,14-16H,6-9H2,1H3,(H,20,22)/t14-,15+,16-/m0/s1.
What are the key properties of (3S,3aR,6aR)-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-pyridin-3-yl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole-3-carboxamide?
(3S,3aR,6aR)-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-pyridin-3-yl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole-3-carboxamide has a molecular weight of 344.44 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,3aR,6aR)-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-pyridin-3-yl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole-3-carboxamide is sourced from PubChem (CID 124803531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).