ethyl 4-methyl-2-[(2-methyl-5-morpholin-4-ylsulfonylbenzoyl)amino]-1,3-thiazole-5-carboxylate

C19H23N3O6S2 — CID 2361864

IUPACethyl 4-methyl-2-[(2-methyl-5-morpholin-4-ylsulfonylbenzoyl)amino]-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2C)nc1C
InChIInChI=1S/C19H23N3O6S2/c1-4-28-18(24)16-13(3)20-19(29-16)21-17(23)15-11-14(6-5-12(15)2)30(25,26)22-7-9-27-10-8-22/h5-6,11H,4,7-10H2,1-3H3,(H,20,21,23)
InChIKeyURQFFGIXWMSOLP-UHFFFAOYSA-N
MW453.54 g/mol
LogP2.21
Rot. Bonds6

About ethyl 4-methyl-2-[(2-methyl-5-morpholin-4-ylsulfonylbenzoyl)amino]-1,3-thiazole-5-carboxylate

ethyl 4-methyl-2-[(2-methyl-5-morpholin-4-ylsulfonylbenzoyl)amino]-1,3-thiazole-5-carboxylate (PubChem CID 2361864) has the molecular formula C19H23N3O6S2 and a molecular weight of 453.54 g/mol. Its IUPAC name is ethyl 4-methyl-2-[(2-methyl-5-morpholin-4-ylsulfonylbenzoyl)amino]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-methyl-2-[(2-methyl-5-morpholin-4-ylsulfonylbenzoyl)amino]-1,3-thiazole-5-carboxylate
PubChem CID2361864
Molecular FormulaC19H23N3O6S2
Molecular Weight453.54 g/mol
Exact Mass453.10
IUPAC Nameethyl 4-methyl-2-[(2-methyl-5-morpholin-4-ylsulfonylbenzoyl)amino]-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2C)nc1C
InChIInChI=1S/C19H23N3O6S2/c1-4-28-18(24)16-13(3)20-19(29-16)21-17(23)15-11-14(6-5-12(15)2)30(25,26)22-7-9-27-10-8-22/h5-6,11H,4,7-10H2,1-3H3,(H,20,21,23)
InChIKeyURQFFGIXWMSOLP-UHFFFAOYSA-N
XLogP2.21
TPSA114.90 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.54
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-methyl-2-[(2-methyl-5-morpholin-4-ylsulfonylbenzoyl)amino]-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 4-methyl-2-[(2-methyl-5-morpholin-4-ylsulfonylbenzoyl)amino]-1,3-thiazole-5-carboxylate (CID 2361864) is ethyl 4-methyl-2-[(2-methyl-5-morpholin-4-ylsulfonylbenzoyl)amino]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 4-methyl-2-[(2-methyl-5-morpholin-4-ylsulfonylbenzoyl)amino]-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 4-methyl-2-[(2-methyl-5-morpholin-4-ylsulfonylbenzoyl)amino]-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2C)nc1C.
What is the InChIKey of ethyl 4-methyl-2-[(2-methyl-5-morpholin-4-ylsulfonylbenzoyl)amino]-1,3-thiazole-5-carboxylate?
The InChIKey is URQFFGIXWMSOLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O6S2/c1-4-28-18(24)16-13(3)20-19(29-16)21-17(23)15-11-14(6-5-12(15)2)30(25,26)22-7-9-27-10-8-22/h5-6,11H,4,7-10H2,1-3H3,(H,20,21,23).
What are the key properties of ethyl 4-methyl-2-[(2-methyl-5-morpholin-4-ylsulfonylbenzoyl)amino]-1,3-thiazole-5-carboxylate?
ethyl 4-methyl-2-[(2-methyl-5-morpholin-4-ylsulfonylbenzoyl)amino]-1,3-thiazole-5-carboxylate has a molecular weight of 453.54 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-methyl-2-[(2-methyl-5-morpholin-4-ylsulfonylbenzoyl)amino]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 2361864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).