4-methyl-2-(5-methylfuran-2-yl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-1,3-thiazole-5-carboxamide

C23H21N3O4S2 — CID 55676640

IUPAC4-methyl-2-(5-methylfuran-2-yl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-1,3-thiazole-5-carboxamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(NC(=O)c3sc(-c4ccc(C)o4)nc3C)cc2)cc1
InChIInChI=1S/C23H21N3O4S2/c1-14-4-11-19(12-5-14)32(28,29)26-18-9-7-17(8-10-18)25-22(27)21-16(3)24-23(31-21)20-13-6-15(2)30-20/h4-13,26H,1-3H3,(H,25,27)
InChIKeyKOZVTGWDWKPLPN-UHFFFAOYSA-N
MW467.57 g/mol
LogP5.38
Rot. Bonds6

About 4-methyl-2-(5-methylfuran-2-yl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-1,3-thiazole-5-carboxamide

4-methyl-2-(5-methylfuran-2-yl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-1,3-thiazole-5-carboxamide (PubChem CID 55676640) has the molecular formula C23H21N3O4S2 and a molecular weight of 467.57 g/mol. Its IUPAC name is 4-methyl-2-(5-methylfuran-2-yl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-2-(5-methylfuran-2-yl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-1,3-thiazole-5-carboxamide
PubChem CID55676640
Molecular FormulaC23H21N3O4S2
Molecular Weight467.57 g/mol
Exact Mass467.10
IUPAC Name4-methyl-2-(5-methylfuran-2-yl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-1,3-thiazole-5-carboxamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(NC(=O)c3sc(-c4ccc(C)o4)nc3C)cc2)cc1
InChIInChI=1S/C23H21N3O4S2/c1-14-4-11-19(12-5-14)32(28,29)26-18-9-7-17(8-10-18)25-22(27)21-16(3)24-23(31-21)20-13-6-15(2)30-20/h4-13,26H,1-3H3,(H,25,27)
InChIKeyKOZVTGWDWKPLPN-UHFFFAOYSA-N
XLogP5.38
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.57
LogP ≤ 55.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(2-amino-2-oxoethyl)phenyl]-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide
CID 38592392
4-methyl-2-(5-methylfuran-2-yl)-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide
CID 39886558
N-(1,3-benzodioxol-5-yl)-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide
CID 38404531
N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 108788199
N-(4-methylphenyl)-4-[(4-methylphenyl)sulfamoyl]benzamide
CID 2687815
3-chloro-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-1-benzothiophene-2-carboxamide
CID 55428790
4-methyl-N-[2-(methylamino)ethyl]-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119503082
4-methyl-2-[(4-methylphenoxy)methyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1,3-thiazole-5-carboxamide
CID 28936138
N-(5-chloro-2-methylphenyl)-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide
CID 38484325
4-methyl-2-(5-methylfuran-2-yl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide
CID 38432031
N-(4-fluorophenyl)-2-[(4-methoxyphenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxamide
CID 16802460
N-[3-(diethylaminomethyl)phenyl]-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(5-methylfuran-2-yl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-2-(5-methylfuran-2-yl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-1,3-thiazole-5-carboxamide (CID 55676640) is 4-methyl-2-(5-methylfuran-2-yl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-2-(5-methylfuran-2-yl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-2-(5-methylfuran-2-yl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-1,3-thiazole-5-carboxamide is Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)c3sc(-c4ccc(C)o4)nc3C)cc2)cc1.
What is the InChIKey of 4-methyl-2-(5-methylfuran-2-yl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-1,3-thiazole-5-carboxamide?
The InChIKey is KOZVTGWDWKPLPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O4S2/c1-14-4-11-19(12-5-14)32(28,29)26-18-9-7-17(8-10-18)25-22(27)21-16(3)24-23(31-21)20-13-6-15(2)30-20/h4-13,26H,1-3H3,(H,25,27).
What are the key properties of 4-methyl-2-(5-methylfuran-2-yl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-1,3-thiazole-5-carboxamide?
4-methyl-2-(5-methylfuran-2-yl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-1,3-thiazole-5-carboxamide has a molecular weight of 467.57 g/mol, XLogP of 5.38, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(5-methylfuran-2-yl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 55676640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).