ethyl 4-[5-ethoxycarbonyl-2-(1,3-thiazol-2-ylamino)-1,3-thiazole-4-carbonyl]-2-(1,3-thiazol-2-ylamino)-1,3-thiazole-5-carboxylate

C19H16N6O5S4 — CID 59707929

IUPACethyl 4-[5-ethoxycarbonyl-2-(1,3-thiazol-2-ylamino)-1,3-thiazole-4-carbonyl]-2-(1,3-thiazol-2-ylamino)-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(Nc2nccs2)nc1C(=O)c1nc(Nc2nccs2)sc1C(=O)OCC
InChIInChI=1S/C19H16N6O5S4/c1-3-29-14(27)12-9(22-18(33-12)24-16-20-5-7-31-16)11(26)10-13(15(28)30-4-2)34-19(23-10)25-17-21-6-8-32-17/h5-8H,3-4H2,1-2H3,(H,20,22,24)(H,21,23,25)
InChIKeyGAXRCCBZZXRZSU-UHFFFAOYSA-N
MW536.64 g/mol
LogP4.58
Rot. Bonds10

About ethyl 4-[5-ethoxycarbonyl-2-(1,3-thiazol-2-ylamino)-1,3-thiazole-4-carbonyl]-2-(1,3-thiazol-2-ylamino)-1,3-thiazole-5-carboxylate

ethyl 4-[5-ethoxycarbonyl-2-(1,3-thiazol-2-ylamino)-1,3-thiazole-4-carbonyl]-2-(1,3-thiazol-2-ylamino)-1,3-thiazole-5-carboxylate (PubChem CID 59707929) has the molecular formula C19H16N6O5S4 and a molecular weight of 536.64 g/mol. Its IUPAC name is ethyl 4-[5-ethoxycarbonyl-2-(1,3-thiazol-2-ylamino)-1,3-thiazole-4-carbonyl]-2-(1,3-thiazol-2-ylamino)-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-[5-ethoxycarbonyl-2-(1,3-thiazol-2-ylamino)-1,3-thiazole-4-carbonyl]-2-(1,3-thiazol-2-ylamino)-1,3-thiazole-5-carboxylate
PubChem CID59707929
Molecular FormulaC19H16N6O5S4
Molecular Weight536.64 g/mol
Exact Mass536.01
IUPAC Nameethyl 4-[5-ethoxycarbonyl-2-(1,3-thiazol-2-ylamino)-1,3-thiazole-4-carbonyl]-2-(1,3-thiazol-2-ylamino)-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(Nc2nccs2)nc1C(=O)c1nc(Nc2nccs2)sc1C(=O)OCC
InChIInChI=1S/C19H16N6O5S4/c1-3-29-14(27)12-9(22-18(33-12)24-16-20-5-7-31-16)11(26)10-13(15(28)30-4-2)34-19(23-10)25-17-21-6-8-32-17/h5-8H,3-4H2,1-2H3,(H,20,22,24)(H,21,23,25)
InChIKeyGAXRCCBZZXRZSU-UHFFFAOYSA-N
XLogP4.58
TPSA145.29 Ų
H-Bond Donors2
H-Bond Acceptors15
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.64
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1015

Analyze ethyl 4-[5-ethoxycarbonyl-2-(1,3-thiazol-2-ylamino)-1,3-thiazole-4-carbonyl]-2-(1,3-thiazol-2-ylamino)-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-[5-ethoxycarbonyl-2-(1,3-thiazol-2-ylamino)-1,3-thiazole-4-carbonyl]-2-(1,3-thiazol-2-ylamino)-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 4-[5-ethoxycarbonyl-2-(1,3-thiazol-2-ylamino)-1,3-thiazole-4-carbonyl]-2-(1,3-thiazol-2-ylamino)-1,3-thiazole-5-carboxylate (CID 59707929) is ethyl 4-[5-ethoxycarbonyl-2-(1,3-thiazol-2-ylamino)-1,3-thiazole-4-carbonyl]-2-(1,3-thiazol-2-ylamino)-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 4-[5-ethoxycarbonyl-2-(1,3-thiazol-2-ylamino)-1,3-thiazole-4-carbonyl]-2-(1,3-thiazol-2-ylamino)-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 4-[5-ethoxycarbonyl-2-(1,3-thiazol-2-ylamino)-1,3-thiazole-4-carbonyl]-2-(1,3-thiazol-2-ylamino)-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(Nc2nccs2)nc1C(=O)c1nc(Nc2nccs2)sc1C(=O)OCC.
What is the InChIKey of ethyl 4-[5-ethoxycarbonyl-2-(1,3-thiazol-2-ylamino)-1,3-thiazole-4-carbonyl]-2-(1,3-thiazol-2-ylamino)-1,3-thiazole-5-carboxylate?
The InChIKey is GAXRCCBZZXRZSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6O5S4/c1-3-29-14(27)12-9(22-18(33-12)24-16-20-5-7-31-16)11(26)10-13(15(28)30-4-2)34-19(23-10)25-17-21-6-8-32-17/h5-8H,3-4H2,1-2H3,(H,20,22,24)(H,21,23,25).
What are the key properties of ethyl 4-[5-ethoxycarbonyl-2-(1,3-thiazol-2-ylamino)-1,3-thiazole-4-carbonyl]-2-(1,3-thiazol-2-ylamino)-1,3-thiazole-5-carboxylate?
ethyl 4-[5-ethoxycarbonyl-2-(1,3-thiazol-2-ylamino)-1,3-thiazole-4-carbonyl]-2-(1,3-thiazol-2-ylamino)-1,3-thiazole-5-carboxylate has a molecular weight of 536.64 g/mol, XLogP of 4.58, 10 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[5-ethoxycarbonyl-2-(1,3-thiazol-2-ylamino)-1,3-thiazole-4-carbonyl]-2-(1,3-thiazol-2-ylamino)-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 59707929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).