4-(3-formamidophenyl)-2-(methylamino)-N-[4-(2-sulfamoylphenyl)phenyl]-1,3-thiazole-5-carboxamide

C24H21N5O4S2 — CID 90881753

IUPAC4-(3-formamidophenyl)-2-(methylamino)-N-[4-(2-sulfamoylphenyl)phenyl]-1,3-thiazole-5-carboxamide
SMILESCNc1nc(-c2cccc(NC=O)c2)c(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)s1
InChIInChI=1S/C24H21N5O4S2/c1-26-24-29-21(16-5-4-6-18(13-16)27-14-30)22(34-24)23(31)28-17-11-9-15(10-12-17)19-7-2-3-8-20(19)35(25,32)33/h2-14H,1H3,(H,26,29)(H,27,30)(H,28,31)(H2,25,32,33)
InChIKeyWHWLPCASMHNBSX-UHFFFAOYSA-N
MW507.60 g/mol
LogP3.99
Rot. Bonds8

About 4-(3-formamidophenyl)-2-(methylamino)-N-[4-(2-sulfamoylphenyl)phenyl]-1,3-thiazole-5-carboxamide

4-(3-formamidophenyl)-2-(methylamino)-N-[4-(2-sulfamoylphenyl)phenyl]-1,3-thiazole-5-carboxamide (PubChem CID 90881753) has the molecular formula C24H21N5O4S2 and a molecular weight of 507.60 g/mol. Its IUPAC name is 4-(3-formamidophenyl)-2-(methylamino)-N-[4-(2-sulfamoylphenyl)phenyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-(3-formamidophenyl)-2-(methylamino)-N-[4-(2-sulfamoylphenyl)phenyl]-1,3-thiazole-5-carboxamide
PubChem CID90881753
Molecular FormulaC24H21N5O4S2
Molecular Weight507.60 g/mol
Exact Mass507.10
IUPAC Name4-(3-formamidophenyl)-2-(methylamino)-N-[4-(2-sulfamoylphenyl)phenyl]-1,3-thiazole-5-carboxamide
SMILESCNc1nc(-c2cccc(NC=O)c2)c(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)s1
InChIInChI=1S/C24H21N5O4S2/c1-26-24-29-21(16-5-4-6-18(13-16)27-14-30)22(34-24)23(31)28-17-11-9-15(10-12-17)19-7-2-3-8-20(19)35(25,32)33/h2-14H,1H3,(H,26,29)(H,27,30)(H,28,31)(H2,25,32,33)
InChIKeyWHWLPCASMHNBSX-UHFFFAOYSA-N
XLogP3.99
TPSA143.28 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.60
LogP ≤ 53.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(3-formamidophenyl)-2-(methylamino)-N-[4-(2-sulfamoylphenyl)phenyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-(3-formamidophenyl)-2-(methylamino)-N-[4-(2-sulfamoylphenyl)phenyl]-1,3-thiazole-5-carboxamide (CID 90881753) is 4-(3-formamidophenyl)-2-(methylamino)-N-[4-(2-sulfamoylphenyl)phenyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-(3-formamidophenyl)-2-(methylamino)-N-[4-(2-sulfamoylphenyl)phenyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-(3-formamidophenyl)-2-(methylamino)-N-[4-(2-sulfamoylphenyl)phenyl]-1,3-thiazole-5-carboxamide is CNc1nc(-c2cccc(NC=O)c2)c(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)s1.
What is the InChIKey of 4-(3-formamidophenyl)-2-(methylamino)-N-[4-(2-sulfamoylphenyl)phenyl]-1,3-thiazole-5-carboxamide?
The InChIKey is WHWLPCASMHNBSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O4S2/c1-26-24-29-21(16-5-4-6-18(13-16)27-14-30)22(34-24)23(31)28-17-11-9-15(10-12-17)19-7-2-3-8-20(19)35(25,32)33/h2-14H,1H3,(H,26,29)(H,27,30)(H,28,31)(H2,25,32,33).
What are the key properties of 4-(3-formamidophenyl)-2-(methylamino)-N-[4-(2-sulfamoylphenyl)phenyl]-1,3-thiazole-5-carboxamide?
4-(3-formamidophenyl)-2-(methylamino)-N-[4-(2-sulfamoylphenyl)phenyl]-1,3-thiazole-5-carboxamide has a molecular weight of 507.60 g/mol, XLogP of 3.99, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-formamidophenyl)-2-(methylamino)-N-[4-(2-sulfamoylphenyl)phenyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 90881753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).