N-[[(3aS,6aS)-5-(5-methyl-1,3,4-thiadiazol-2-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-1-methylpyrrole-2-carboxamide

C16H21N5O2S — CID 124817532

IUPACN-[[(3aS,6aS)-5-(5-methyl-1,3,4-thiadiazol-2-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-1-methylpyrrole-2-carboxamide
SMILESCc1nnc(N2C[C@H]3COC[C@@]3(CNC(=O)c3cccn3C)C2)s1
InChIInChI=1S/C16H21N5O2S/c1-11-18-19-15(24-11)21-6-12-7-23-10-16(12,9-21)8-17-14(22)13-4-3-5-20(13)2/h3-5,12H,6-10H2,1-2H3,(H,17,22)/t12-,16+/m0/s1
InChIKeyLKWAHUYPKBVCTQ-BLLLJJGKSA-N
MW347.44 g/mol
LogP1.07
Rot. Bonds4

About N-[[(3aS,6aS)-5-(5-methyl-1,3,4-thiadiazol-2-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-1-methylpyrrole-2-carboxamide

N-[[(3aS,6aS)-5-(5-methyl-1,3,4-thiadiazol-2-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-1-methylpyrrole-2-carboxamide (PubChem CID 124817532) has the molecular formula C16H21N5O2S and a molecular weight of 347.44 g/mol. Its IUPAC name is N-[[(3aS,6aS)-5-(5-methyl-1,3,4-thiadiazol-2-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[[(3aS,6aS)-5-(5-methyl-1,3,4-thiadiazol-2-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-1-methylpyrrole-2-carboxamide
PubChem CID124817532
Molecular FormulaC16H21N5O2S
Molecular Weight347.44 g/mol
Exact Mass347.14
IUPAC NameN-[[(3aS,6aS)-5-(5-methyl-1,3,4-thiadiazol-2-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-1-methylpyrrole-2-carboxamide
SMILESCc1nnc(N2C[C@H]3COC[C@@]3(CNC(=O)c3cccn3C)C2)s1
InChIInChI=1S/C16H21N5O2S/c1-11-18-19-15(24-11)21-6-12-7-23-10-16(12,9-21)8-17-14(22)13-4-3-5-20(13)2/h3-5,12H,6-10H2,1-2H3,(H,17,22)/t12-,16+/m0/s1
InChIKeyLKWAHUYPKBVCTQ-BLLLJJGKSA-N
XLogP1.07
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

N-[[(3aR,6aR)-5-(furan-3-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-1-methylpyrrole-2-carboxamide
CID 97475021
1-methyl-N-[[(7R)-2-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyrrole-2-carboxamide
CID 124822074
N-[(1-hydroxycyclohexyl)methyl]-1-methylpyrrole-2-carboxamide
CID 64866563
(3aR,6aR)-N-(cyclopropylmethyl)-5-(5-methyl-1,3,4-thiadiazol-2-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide;2,2,2-trifluoroacetic acid
CID 155832524
N-[[(3aR,6aR)-5-(6-methoxypyrimidin-4-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]pyridazine-4-carboxamide
CID 97476350
N-[[(3aR,6aR)-5-(6-methoxypyrimidin-4-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]benzamide;2,2,2-trifluoroacetic acid
CID 155825939
N-[[(3aR,6aR)-5-(5-fluoropyrimidin-2-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]pyridine-3-carboxamide
CID 97476840
(3aR,6aS)-3a-(methoxymethyl)-5-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole
CID 162628157
(3aR,6aR)-5-(5-methyl-1,3,4-thiadiazol-2-yl)-N-propan-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide;2,2,2-trifluoroacetic acid
CID 155831151
N-[[(3aR,6aR)-5-methylsulfonyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]benzamide
CID 97420728
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-[[(3aR,6aR)-5-methylsulfonyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]pyridine-3-carboxamide
CID 97477503

Frequently Asked Questions

What is the IUPAC name of N-[[(3aS,6aS)-5-(5-methyl-1,3,4-thiadiazol-2-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-1-methylpyrrole-2-carboxamide?
The IUPAC name of N-[[(3aS,6aS)-5-(5-methyl-1,3,4-thiadiazol-2-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-1-methylpyrrole-2-carboxamide (CID 124817532) is N-[[(3aS,6aS)-5-(5-methyl-1,3,4-thiadiazol-2-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for N-[[(3aS,6aS)-5-(5-methyl-1,3,4-thiadiazol-2-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-1-methylpyrrole-2-carboxamide?
The canonical SMILES for N-[[(3aS,6aS)-5-(5-methyl-1,3,4-thiadiazol-2-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-1-methylpyrrole-2-carboxamide is Cc1nnc(N2C[C@H]3COC[C@@]3(CNC(=O)c3cccn3C)C2)s1.
What is the InChIKey of N-[[(3aS,6aS)-5-(5-methyl-1,3,4-thiadiazol-2-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-1-methylpyrrole-2-carboxamide?
The InChIKey is LKWAHUYPKBVCTQ-BLLLJJGKSA-N. The full InChI is InChI=1S/C16H21N5O2S/c1-11-18-19-15(24-11)21-6-12-7-23-10-16(12,9-21)8-17-14(22)13-4-3-5-20(13)2/h3-5,12H,6-10H2,1-2H3,(H,17,22)/t12-,16+/m0/s1.
What are the key properties of N-[[(3aS,6aS)-5-(5-methyl-1,3,4-thiadiazol-2-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-1-methylpyrrole-2-carboxamide?
N-[[(3aS,6aS)-5-(5-methyl-1,3,4-thiadiazol-2-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-1-methylpyrrole-2-carboxamide has a molecular weight of 347.44 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3aS,6aS)-5-(5-methyl-1,3,4-thiadiazol-2-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 124817532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).