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

C19H23N3O4S — CID 17256973

IUPACethyl 4-methyl-2-[[4-(pentanoylamino)benzoyl]amino]-1,3-thiazole-5-carboxylate
SMILESCCCCC(=O)Nc1ccc(C(=O)Nc2nc(C)c(C(=O)OCC)s2)cc1
InChIInChI=1S/C19H23N3O4S/c1-4-6-7-15(23)21-14-10-8-13(9-11-14)17(24)22-19-20-12(3)16(27-19)18(25)26-5-2/h8-11H,4-7H2,1-3H3,(H,21,23)(H,20,22,24)
InChIKeyZGMLXQYIRSTBON-UHFFFAOYSA-N
MW389.48 g/mol
LogP4.01
Rot. Bonds8

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

ethyl 4-methyl-2-[[4-(pentanoylamino)benzoyl]amino]-1,3-thiazole-5-carboxylate (PubChem CID 17256973) has the molecular formula C19H23N3O4S and a molecular weight of 389.48 g/mol. Its IUPAC name is ethyl 4-methyl-2-[[4-(pentanoylamino)benzoyl]amino]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-methyl-2-[[4-(pentanoylamino)benzoyl]amino]-1,3-thiazole-5-carboxylate
PubChem CID17256973
Molecular FormulaC19H23N3O4S
Molecular Weight389.48 g/mol
Exact Mass389.14
IUPAC Nameethyl 4-methyl-2-[[4-(pentanoylamino)benzoyl]amino]-1,3-thiazole-5-carboxylate
SMILESCCCCC(=O)Nc1ccc(C(=O)Nc2nc(C)c(C(=O)OCC)s2)cc1
InChIInChI=1S/C19H23N3O4S/c1-4-6-7-15(23)21-14-10-8-13(9-11-14)17(24)22-19-20-12(3)16(27-19)18(25)26-5-2/h8-11H,4-7H2,1-3H3,(H,21,23)(H,20,22,24)
InChIKeyZGMLXQYIRSTBON-UHFFFAOYSA-N
XLogP4.01
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-[(4-iodobenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 26266801
ethyl 2-(heptanoylamino)-4-methyl-1,3-thiazole-5-carboxylate
CID 4072445
ethyl 2-[(4-ethylsulfanylbenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 7579199
ethyl 2-[[4-[butyl(ethyl)sulfamoyl]benzoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 3263875
ethyl 4-methyl-2-[(6-methylpyridine-3-carbonyl)amino]-1,3-thiazole-5-carboxylate
CID 18149014
methyl 4-methyl-2-(pentanoylamino)-1,3-thiazole-5-carboxylate
CID 5058750
ethyl 2-[3-[(4-tert-butylbenzoyl)amino]propanoylamino]-4-methyl-1,3-thiazole-5-carboxylate
CID 55343953
ethyl 2-[(4-fluorobenzoyl)carbamothioylamino]-4-methyl-1,3-thiazole-5-carboxylate
CID 2282070
ethyl 2-[(4-chlorobenzoyl)carbamothioylamino]-4-methyl-1,3-thiazole-5-carboxylate
CID 2281451
ethyl 4-(icosanoylamino)benzoate
CID 4522300
ethyl 4-(hexadecanoylamino)benzoate
CID 15925750
4-methyl-N-[5-(pentanoylamino)-1,3-benzothiazol-2-yl]benzamide
CID 46328836

Frequently Asked Questions

What is the IUPAC name of ethyl 4-methyl-2-[[4-(pentanoylamino)benzoyl]amino]-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 4-methyl-2-[[4-(pentanoylamino)benzoyl]amino]-1,3-thiazole-5-carboxylate (CID 17256973) is ethyl 4-methyl-2-[[4-(pentanoylamino)benzoyl]amino]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 4-methyl-2-[[4-(pentanoylamino)benzoyl]amino]-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 4-methyl-2-[[4-(pentanoylamino)benzoyl]amino]-1,3-thiazole-5-carboxylate is CCCCC(=O)Nc1ccc(C(=O)Nc2nc(C)c(C(=O)OCC)s2)cc1.
What is the InChIKey of ethyl 4-methyl-2-[[4-(pentanoylamino)benzoyl]amino]-1,3-thiazole-5-carboxylate?
The InChIKey is ZGMLXQYIRSTBON-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4S/c1-4-6-7-15(23)21-14-10-8-13(9-11-14)17(24)22-19-20-12(3)16(27-19)18(25)26-5-2/h8-11H,4-7H2,1-3H3,(H,21,23)(H,20,22,24).
What are the key properties of ethyl 4-methyl-2-[[4-(pentanoylamino)benzoyl]amino]-1,3-thiazole-5-carboxylate?
ethyl 4-methyl-2-[[4-(pentanoylamino)benzoyl]amino]-1,3-thiazole-5-carboxylate has a molecular weight of 389.48 g/mol, XLogP of 4.01, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-methyl-2-[[4-(pentanoylamino)benzoyl]amino]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 17256973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).