ethyl 2-[[2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carbonyl]amino]-1,3-thiazole-4-carboxylate

C19H19N3O3S2 — CID 55555267

IUPACethyl 2-[[2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carbonyl]amino]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(NC(=O)c2csc(-c3ccc(C(C)C)cc3)n2)n1
InChIInChI=1S/C19H19N3O3S2/c1-4-25-18(24)15-10-27-19(21-15)22-16(23)14-9-26-17(20-14)13-7-5-12(6-8-13)11(2)3/h5-11H,4H2,1-3H3,(H,21,22,23)
InChIKeySAKOIAVDLXOYAO-UHFFFAOYSA-N
MW401.51 g/mol
LogP4.82
Rot. Bonds6

About ethyl 2-[[2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carbonyl]amino]-1,3-thiazole-4-carboxylate

ethyl 2-[[2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carbonyl]amino]-1,3-thiazole-4-carboxylate (PubChem CID 55555267) has the molecular formula C19H19N3O3S2 and a molecular weight of 401.51 g/mol. Its IUPAC name is ethyl 2-[[2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carbonyl]amino]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[[2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carbonyl]amino]-1,3-thiazole-4-carboxylate
PubChem CID55555267
Molecular FormulaC19H19N3O3S2
Molecular Weight401.51 g/mol
Exact Mass401.09
IUPAC Nameethyl 2-[[2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carbonyl]amino]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(NC(=O)c2csc(-c3ccc(C(C)C)cc3)n2)n1
InChIInChI=1S/C19H19N3O3S2/c1-4-25-18(24)15-10-27-19(21-15)22-16(23)14-9-26-17(20-14)13-7-5-12(6-8-13)11(2)3/h5-11H,4H2,1-3H3,(H,21,22,23)
InChIKeySAKOIAVDLXOYAO-UHFFFAOYSA-N
XLogP4.82
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 2-[[2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carbonyl]amino]-1,3-thiazole-4-carboxylate with MolForge

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Related Compounds

ethyl 2-[(2-phenyl-1,3-thiazole-4-carbonyl)amino]-1,3-thiazole-4-carboxylate
CID 51205241
ethyl N-[[2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carbonyl]amino]carbamate
CID 36759343
ethyl 2-[(2-amino-1,3-thiazole-4-carbonyl)amino]-1,3-thiazole-4-carboxylate
CID 59799123
ethyl 2-[(2-methyl-4-propan-2-yl-1,3-thiazole-5-carbonyl)amino]-1,3-thiazole-4-carboxylate
CID 75357207
ethyl 2-(2-chloropropanoylamino)-1,3-thiazole-4-carboxylate
CID 10515652
N-[4-(2-amino-2-oxoethyl)phenyl]-2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carboxamide
CID 31861373
ethyl 2-(4-bromo-3-chlorophenyl)-1,3-thiazole-4-carboxylate
CID 114077100
ethyl 2-[[2-(4-methylphenyl)acetyl]amino]-1,3-thiazole-4-carboxylate
CID 43951121
ethyl 2-[[4-[4-[(4-ethoxycarbonyl-1,3-thiazol-2-yl)carbamoyl]phenoxy]benzoyl]amino]-1,3-thiazole-4-carboxylate
CID 5218735
N-methylsulfonyl-2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carboxamide
CID 146154242
ethyl 2-(3-bromo-4-chlorophenyl)-1,3-thiazole-4-carboxylate
CID 115565697
N-(1-methylpyrazol-3-yl)-2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carboxamide
CID 36749788

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carbonyl]amino]-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-[[2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carbonyl]amino]-1,3-thiazole-4-carboxylate (CID 55555267) is ethyl 2-[[2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carbonyl]amino]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-[[2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carbonyl]amino]-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-[[2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carbonyl]amino]-1,3-thiazole-4-carboxylate is CCOC(=O)c1csc(NC(=O)c2csc(-c3ccc(C(C)C)cc3)n2)n1.
What is the InChIKey of ethyl 2-[[2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carbonyl]amino]-1,3-thiazole-4-carboxylate?
The InChIKey is SAKOIAVDLXOYAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3S2/c1-4-25-18(24)15-10-27-19(21-15)22-16(23)14-9-26-17(20-14)13-7-5-12(6-8-13)11(2)3/h5-11H,4H2,1-3H3,(H,21,22,23).
What are the key properties of ethyl 2-[[2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carbonyl]amino]-1,3-thiazole-4-carboxylate?
ethyl 2-[[2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carbonyl]amino]-1,3-thiazole-4-carboxylate has a molecular weight of 401.51 g/mol, XLogP of 4.82, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carbonyl]amino]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 55555267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).