N-[[(3aR,6aR)-5-[(5-methylfuran-2-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-1,3-thiazole-4-carboxamide

C17H21N3O3S — CID 97420717

IUPACN-[[(3aR,6aR)-5-[(5-methylfuran-2-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-1,3-thiazole-4-carboxamide
SMILESCc1ccc(CN2C[C@@H]3COC[C@]3(CNC(=O)c3cscn3)C2)o1
InChIInChI=1S/C17H21N3O3S/c1-12-2-3-14(23-12)5-20-4-13-6-22-10-17(13,9-20)8-18-16(21)15-7-24-11-19-15/h2-3,7,11,13H,4-6,8-10H2,1H3,(H,18,21)/t13-,17+/m1/s1
InChIKeyUCAGLLDMFCYQIN-DYVFJYSZSA-N
MW347.44 g/mol
LogP1.92
Rot. Bonds5

About N-[[(3aR,6aR)-5-[(5-methylfuran-2-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-1,3-thiazole-4-carboxamide

N-[[(3aR,6aR)-5-[(5-methylfuran-2-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-1,3-thiazole-4-carboxamide (PubChem CID 97420717) has the molecular formula C17H21N3O3S and a molecular weight of 347.44 g/mol. Its IUPAC name is N-[[(3aR,6aR)-5-[(5-methylfuran-2-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[[(3aR,6aR)-5-[(5-methylfuran-2-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-1,3-thiazole-4-carboxamide
PubChem CID97420717
Molecular FormulaC17H21N3O3S
Molecular Weight347.44 g/mol
Exact Mass347.13
IUPAC NameN-[[(3aR,6aR)-5-[(5-methylfuran-2-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-1,3-thiazole-4-carboxamide
SMILESCc1ccc(CN2C[C@@H]3COC[C@]3(CNC(=O)c3cscn3)C2)o1
InChIInChI=1S/C17H21N3O3S/c1-12-2-3-14(23-12)5-20-4-13-6-22-10-17(13,9-20)8-18-16(21)15-7-24-11-19-15/h2-3,7,11,13H,4-6,8-10H2,1H3,(H,18,21)/t13-,17+/m1/s1
InChIKeyUCAGLLDMFCYQIN-DYVFJYSZSA-N
XLogP1.92
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[(3aR,6aR)-5-[(5-methylfuran-2-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-1,3-thiazole-4-carboxamide with MolForge

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Related Compounds

N-[[(3aR,6aR)-5-(pyridin-2-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-1,3-thiazole-4-carboxamide;2,2,2-trifluoroacetic acid
CID 171696737
N-[[(3aR,6aR)-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]benzamide
CID 97420725
[9-[(5-methylfuran-2-yl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]-(1,3-thiazol-4-yl)methanone
CID 97370681
3-[[(3aR,6aR)-5-(thiophen-3-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-1,1-dimethylurea
CID 97420518
N-[[(3aS,6aS)-5-benzyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]furan-2-carboxamide
CID 124782399
3-[[(3aR,6aR)-5-[(5-methyl-1,2-oxazol-3-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-1,1-dimethylurea
CID 97420527
N-[[(3aS,6aS)-5-benzyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 124835176
N-[[(3aR,6aR)-5-benzyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 97420711
N-[[(3aS,6aS)-5-(thiophen-2-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]benzamide
CID 124781236
3-[[(3aR,6aR)-5-[(5-methylthiophen-2-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-1,1-dimethylurea
CID 97420519
N-[[(3aR,6aR)-5-[(5-methyl-1,2-oxazol-3-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]pyridine-3-carboxamide
CID 97420736
(3aR,6aR)-5-[(5-methylfuran-2-yl)methyl]-3a-(pyridin-3-ylmethoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole;bis(2,2,2-trifluoroacetic acid)
CID 155843171

Frequently Asked Questions

What is the IUPAC name of N-[[(3aR,6aR)-5-[(5-methylfuran-2-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[[(3aR,6aR)-5-[(5-methylfuran-2-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-1,3-thiazole-4-carboxamide (CID 97420717) is N-[[(3aR,6aR)-5-[(5-methylfuran-2-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[[(3aR,6aR)-5-[(5-methylfuran-2-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[[(3aR,6aR)-5-[(5-methylfuran-2-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-1,3-thiazole-4-carboxamide is Cc1ccc(CN2C[C@@H]3COC[C@]3(CNC(=O)c3cscn3)C2)o1.
What is the InChIKey of N-[[(3aR,6aR)-5-[(5-methylfuran-2-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is UCAGLLDMFCYQIN-DYVFJYSZSA-N. The full InChI is InChI=1S/C17H21N3O3S/c1-12-2-3-14(23-12)5-20-4-13-6-22-10-17(13,9-20)8-18-16(21)15-7-24-11-19-15/h2-3,7,11,13H,4-6,8-10H2,1H3,(H,18,21)/t13-,17+/m1/s1.
What are the key properties of N-[[(3aR,6aR)-5-[(5-methylfuran-2-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-1,3-thiazole-4-carboxamide?
N-[[(3aR,6aR)-5-[(5-methylfuran-2-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 347.44 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3aR,6aR)-5-[(5-methylfuran-2-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 97420717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).