ethyl 4-methyl-2-[(4-phenylphenyl)sulfonylamino]-1,3-thiazole-5-carboxylate

C19H18N2O4S2 — CID 10294534

IUPACethyl 4-methyl-2-[(4-phenylphenyl)sulfonylamino]-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NS(=O)(=O)c2ccc(-c3ccccc3)cc2)nc1C
InChIInChI=1S/C19H18N2O4S2/c1-3-25-18(22)17-13(2)20-19(26-17)21-27(23,24)16-11-9-15(10-12-16)14-7-5-4-6-8-14/h4-12H,3H2,1-2H3,(H,20,21)
InChIKeyVVBJTZJDNHUXFS-UHFFFAOYSA-N
MW402.50 g/mol
LogP4.10
Rot. Bonds6

About ethyl 4-methyl-2-[(4-phenylphenyl)sulfonylamino]-1,3-thiazole-5-carboxylate

ethyl 4-methyl-2-[(4-phenylphenyl)sulfonylamino]-1,3-thiazole-5-carboxylate (PubChem CID 10294534) has the molecular formula C19H18N2O4S2 and a molecular weight of 402.50 g/mol. Its IUPAC name is ethyl 4-methyl-2-[(4-phenylphenyl)sulfonylamino]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-methyl-2-[(4-phenylphenyl)sulfonylamino]-1,3-thiazole-5-carboxylate
PubChem CID10294534
Molecular FormulaC19H18N2O4S2
Molecular Weight402.50 g/mol
Exact Mass402.07
IUPAC Nameethyl 4-methyl-2-[(4-phenylphenyl)sulfonylamino]-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NS(=O)(=O)c2ccc(-c3ccccc3)cc2)nc1C
InChIInChI=1S/C19H18N2O4S2/c1-3-25-18(22)17-13(2)20-19(26-17)21-27(23,24)16-11-9-15(10-12-16)14-7-5-4-6-8-14/h4-12H,3H2,1-2H3,(H,20,21)
InChIKeyVVBJTZJDNHUXFS-UHFFFAOYSA-N
XLogP4.10
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 4-methyl-2-[(4-phenylphenyl)sulfonylamino]-1,3-thiazole-5-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 4-methyl-2-[(4-phenylphenyl)sulfonylamino]-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 4-methyl-2-[(4-phenylphenyl)sulfonylamino]-1,3-thiazole-5-carboxylate (CID 10294534) is ethyl 4-methyl-2-[(4-phenylphenyl)sulfonylamino]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 4-methyl-2-[(4-phenylphenyl)sulfonylamino]-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 4-methyl-2-[(4-phenylphenyl)sulfonylamino]-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(NS(=O)(=O)c2ccc(-c3ccccc3)cc2)nc1C.
What is the InChIKey of ethyl 4-methyl-2-[(4-phenylphenyl)sulfonylamino]-1,3-thiazole-5-carboxylate?
The InChIKey is VVBJTZJDNHUXFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4S2/c1-3-25-18(22)17-13(2)20-19(26-17)21-27(23,24)16-11-9-15(10-12-16)14-7-5-4-6-8-14/h4-12H,3H2,1-2H3,(H,20,21).
What are the key properties of ethyl 4-methyl-2-[(4-phenylphenyl)sulfonylamino]-1,3-thiazole-5-carboxylate?
ethyl 4-methyl-2-[(4-phenylphenyl)sulfonylamino]-1,3-thiazole-5-carboxylate has a molecular weight of 402.50 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-methyl-2-[(4-phenylphenyl)sulfonylamino]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 10294534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).