methyl 4-[2-[(5-piperidin-1-ylsulfonylfuran-2-carbonyl)amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxylate

C19H20N4O6S2 — CID 55633021

IUPACmethyl 4-[2-[(5-piperidin-1-ylsulfonylfuran-2-carbonyl)amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxylate
SMILESCOC(=O)c1cc(-c2csc(NC(=O)c3ccc(S(=O)(=O)N4CCCCC4)o3)n2)c[nH]1
InChIInChI=1S/C19H20N4O6S2/c1-28-18(25)13-9-12(10-20-13)14-11-30-19(21-14)22-17(24)15-5-6-16(29-15)31(26,27)23-7-3-2-4-8-23/h5-6,9-11,20H,2-4,7-8H2,1H3,(H,21,22,24)
InChIKeyAMKJCBKLWFXMEE-UHFFFAOYSA-N
MW464.53 g/mol
LogP2.94
Rot. Bonds6

About methyl 4-[2-[(5-piperidin-1-ylsulfonylfuran-2-carbonyl)amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxylate

methyl 4-[2-[(5-piperidin-1-ylsulfonylfuran-2-carbonyl)amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxylate (PubChem CID 55633021) has the molecular formula C19H20N4O6S2 and a molecular weight of 464.53 g/mol. Its IUPAC name is methyl 4-[2-[(5-piperidin-1-ylsulfonylfuran-2-carbonyl)amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[2-[(5-piperidin-1-ylsulfonylfuran-2-carbonyl)amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxylate
PubChem CID55633021
Molecular FormulaC19H20N4O6S2
Molecular Weight464.53 g/mol
Exact Mass464.08
IUPAC Namemethyl 4-[2-[(5-piperidin-1-ylsulfonylfuran-2-carbonyl)amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxylate
SMILESCOC(=O)c1cc(-c2csc(NC(=O)c3ccc(S(=O)(=O)N4CCCCC4)o3)n2)c[nH]1
InChIInChI=1S/C19H20N4O6S2/c1-28-18(25)13-9-12(10-20-13)14-11-30-19(21-14)22-17(24)15-5-6-16(29-15)31(26,27)23-7-3-2-4-8-23/h5-6,9-11,20H,2-4,7-8H2,1H3,(H,21,22,24)
InChIKeyAMKJCBKLWFXMEE-UHFFFAOYSA-N
XLogP2.94
TPSA134.60 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.53
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze methyl 4-[2-[(5-piperidin-1-ylsulfonylfuran-2-carbonyl)amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxylate with MolForge

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Related Compounds

methyl 4-[2-[(5-chlorofuran-2-carbonyl)amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxylate
CID 38159057
N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-5-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
CID 46404196
methyl 4-[2-[(2-methylfuran-3-carbonyl)amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxylate
CID 38157401
methyl 4-[2-[(5-methylthiophene-2-carbonyl)amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxylate
CID 37141943
methyl 4-[2-(oxane-4-carbonylamino)-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxylate
CID 30710746
methyl 4-[2-[(1-phenylpyrazole-3-carbonyl)amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxylate
CID 46430847
methyl 4-[2-[(1-aminocyclopropanecarbonyl)amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxylate
CID 119702148
4-[2-[(4-fluoro-3-pyrrolidin-1-ylsulfonylbenzoyl)amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide
CID 55596810
methyl 5-pyrrolidin-1-ylsulfonylfuran-2-carboxylate
CID 716787
methyl 4-[2-[(5-methyl-1-phenylpyrazole-3-carbonyl)amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxylate
CID 55759029
methyl 4-[2-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxylate
CID 78846044
methyl 4-[2-[(2-methylcyclopropanecarbonyl)amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxylate
CID 71943404

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-[(5-piperidin-1-ylsulfonylfuran-2-carbonyl)amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxylate?
The IUPAC name of methyl 4-[2-[(5-piperidin-1-ylsulfonylfuran-2-carbonyl)amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxylate (CID 55633021) is methyl 4-[2-[(5-piperidin-1-ylsulfonylfuran-2-carbonyl)amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxylate.
What is the SMILES notation for methyl 4-[2-[(5-piperidin-1-ylsulfonylfuran-2-carbonyl)amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxylate?
The canonical SMILES for methyl 4-[2-[(5-piperidin-1-ylsulfonylfuran-2-carbonyl)amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxylate is COC(=O)c1cc(-c2csc(NC(=O)c3ccc(S(=O)(=O)N4CCCCC4)o3)n2)c[nH]1.
What is the InChIKey of methyl 4-[2-[(5-piperidin-1-ylsulfonylfuran-2-carbonyl)amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxylate?
The InChIKey is AMKJCBKLWFXMEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O6S2/c1-28-18(25)13-9-12(10-20-13)14-11-30-19(21-14)22-17(24)15-5-6-16(29-15)31(26,27)23-7-3-2-4-8-23/h5-6,9-11,20H,2-4,7-8H2,1H3,(H,21,22,24).
What are the key properties of methyl 4-[2-[(5-piperidin-1-ylsulfonylfuran-2-carbonyl)amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxylate?
methyl 4-[2-[(5-piperidin-1-ylsulfonylfuran-2-carbonyl)amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxylate has a molecular weight of 464.53 g/mol, XLogP of 2.94, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-[(5-piperidin-1-ylsulfonylfuran-2-carbonyl)amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxylate is sourced from PubChem (CID 55633021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).