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

C15H17N3O5S2 — CID 649325

IUPACethyl 2-[(4-acetamidophenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NS(=O)(=O)c2ccc(NC(C)=O)cc2)nc1C
InChIInChI=1S/C15H17N3O5S2/c1-4-23-14(20)13-9(2)16-15(24-13)18-25(21,22)12-7-5-11(6-8-12)17-10(3)19/h5-8H,4H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyRBCPOFBNCPOIEP-UHFFFAOYSA-N
MW383.45 g/mol
LogP2.39
Rot. Bonds6

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

ethyl 2-[(4-acetamidophenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxylate (PubChem CID 649325) has the molecular formula C15H17N3O5S2 and a molecular weight of 383.45 g/mol. Its IUPAC name is ethyl 2-[(4-acetamidophenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(4-acetamidophenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxylate
PubChem CID649325
Molecular FormulaC15H17N3O5S2
Molecular Weight383.45 g/mol
Exact Mass383.06
IUPAC Nameethyl 2-[(4-acetamidophenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NS(=O)(=O)c2ccc(NC(C)=O)cc2)nc1C
InChIInChI=1S/C15H17N3O5S2/c1-4-23-14(20)13-9(2)16-15(24-13)18-25(21,22)12-7-5-11(6-8-12)17-10(3)19/h5-8H,4H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyRBCPOFBNCPOIEP-UHFFFAOYSA-N
XLogP2.39
TPSA114.46 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

Ethyl 2-((4-fluorophenyl)amino)-4-methylthiazole-5-carboxylate
CID 935079
Ethyl 2-anilino-4-methyl-1,3-thiazole-5-carboxylate
CID 807772
Methyl 2-anilino-4-methyl-1,3-thiazole-5-carboxylate
CID 972118
Ethyl 2-[(4-fluorophenyl)carbamoylamino]-4-methyl-1,3-thiazole-5-carboxylate
CID 2472130
2-[2-[(4-Acetamidophenyl)sulfonylamino]-4-thiazolyl]acetic acid ethyl ester
CID 3145079
4-methyl-N-phenyl-2-(4-sulfamoylanilino)-1,3-thiazole-5-carboxamide
CID 1973868
Ethyl 2-[(2-fluorophenyl)carbamoylamino]-4-methyl-1,3-thiazole-5-carboxylate
CID 2472128
Ethyl 2-{[(4-fluorophenyl)sulfonyl]amino}-4-methyl-1,3-thiazole-5-carboxylate
CID 3160784
2-Benzenesulfonylamino-4-methyl-thiazole-5-carboxylic acid ethyl ester
CID 921743
2-(3-Benzenesulfonyl-propionylamino)-4-methyl-thiazole-5-carboxylic acid ethyl ester
CID 6493262
Ethyl 4-methyl-2-(phenylcarbamoylamino)thiazole-5-carboxylate
CID 766139
Ethyl 2-(phenylamino)-4-(trifluoromethyl)thiazole-5-carboxylate
CID 19616609

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4-acetamidophenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-[(4-acetamidophenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxylate (CID 649325) is ethyl 2-[(4-acetamidophenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-[(4-acetamidophenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-[(4-acetamidophenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(NS(=O)(=O)c2ccc(NC(C)=O)cc2)nc1C.
What is the InChIKey of ethyl 2-[(4-acetamidophenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxylate?
The InChIKey is RBCPOFBNCPOIEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O5S2/c1-4-23-14(20)13-9(2)16-15(24-13)18-25(21,22)12-7-5-11(6-8-12)17-10(3)19/h5-8H,4H2,1-3H3,(H,16,18)(H,17,19).
What are the key properties of ethyl 2-[(4-acetamidophenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxylate?
ethyl 2-[(4-acetamidophenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxylate has a molecular weight of 383.45 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4-acetamidophenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 649325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).