ethyl 2-(2,6-dibenzoyl-4-chlorophenyl)-1,3-thiazole-5-carboxylate

C26H18ClNO4S — CID 141359710

IUPACethyl 2-(2,6-dibenzoyl-4-chlorophenyl)-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1cnc(-c2c(C(=O)c3ccccc3)cc(Cl)cc2C(=O)c2ccccc2)s1
InChIInChI=1S/C26H18ClNO4S/c1-2-32-26(31)21-15-28-25(33-21)22-19(23(29)16-9-5-3-6-10-16)13-18(27)14-20(22)24(30)17-11-7-4-8-12-17/h3-15H,2H2,1H3
InChIKeyNBHARCWCKIOASN-UHFFFAOYSA-N
MW475.95 g/mol
LogP6.10
Rot. Bonds7

About ethyl 2-(2,6-dibenzoyl-4-chlorophenyl)-1,3-thiazole-5-carboxylate

ethyl 2-(2,6-dibenzoyl-4-chlorophenyl)-1,3-thiazole-5-carboxylate (PubChem CID 141359710) has the molecular formula C26H18ClNO4S and a molecular weight of 475.95 g/mol. Its IUPAC name is ethyl 2-(2,6-dibenzoyl-4-chlorophenyl)-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-(2,6-dibenzoyl-4-chlorophenyl)-1,3-thiazole-5-carboxylate
PubChem CID141359710
Molecular FormulaC26H18ClNO4S
Molecular Weight475.95 g/mol
Exact Mass475.06
IUPAC Nameethyl 2-(2,6-dibenzoyl-4-chlorophenyl)-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1cnc(-c2c(C(=O)c3ccccc3)cc(Cl)cc2C(=O)c2ccccc2)s1
InChIInChI=1S/C26H18ClNO4S/c1-2-32-26(31)21-15-28-25(33-21)22-19(23(29)16-9-5-3-6-10-16)13-18(27)14-20(22)24(30)17-11-7-4-8-12-17/h3-15H,2H2,1H3
InChIKeyNBHARCWCKIOASN-UHFFFAOYSA-N
XLogP6.10
TPSA73.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.95
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 2-(2,6-dibenzoyl-4-chlorophenyl)-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

Related Compounds

chlorobenzene;ethyl 2-chloro-1,3-thiazole-5-carboxylate
CID 20535196
ethyl 2-(2-methylphenyl)-1,3-thiazole-5-carboxylate
CID 91757223
ethyl 4-benzoyl-2-chloropyridine-3-carboxylate
CID 15850395
ethyl 2-(3-chlorophenoxy)-1,3-thiazole-5-carboxylate
CID 59823678
ethyl 2-methyl-1,3-thiazole-5-carboxylate
CID 12808791
ethyl 2-(4-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)-1,3-thiazole-5-carboxylate
CID 155254119
ethyl 2-(5-thiophen-2-ylthiophen-2-yl)-1,3-thiazole-5-carboxylate
CID 66644585
ethyl 2-(3-nitrophenyl)-1,3-thiazole-5-carboxylate
CID 54007539
(2-chloro-4,5-diethoxyphenyl)-phenylmethanone
CID 43340750
ethyl 2-(3-chloro-1-propan-2-ylindol-5-yl)-1,3-thiazole-5-carboxylate
CID 68753087
ethyl 2-thieno[2,3-c]pyridin-7-yl-1,3-thiazole-5-carboxylate
CID 178134006
ethyl 2-[6-(benzylamino)-1,2-benzoxazol-3-yl]-1,3-thiazole-5-carboxylate
CID 141302869

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,6-dibenzoyl-4-chlorophenyl)-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-(2,6-dibenzoyl-4-chlorophenyl)-1,3-thiazole-5-carboxylate (CID 141359710) is ethyl 2-(2,6-dibenzoyl-4-chlorophenyl)-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-(2,6-dibenzoyl-4-chlorophenyl)-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-(2,6-dibenzoyl-4-chlorophenyl)-1,3-thiazole-5-carboxylate is CCOC(=O)c1cnc(-c2c(C(=O)c3ccccc3)cc(Cl)cc2C(=O)c2ccccc2)s1.
What is the InChIKey of ethyl 2-(2,6-dibenzoyl-4-chlorophenyl)-1,3-thiazole-5-carboxylate?
The InChIKey is NBHARCWCKIOASN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18ClNO4S/c1-2-32-26(31)21-15-28-25(33-21)22-19(23(29)16-9-5-3-6-10-16)13-18(27)14-20(22)24(30)17-11-7-4-8-12-17/h3-15H,2H2,1H3.
What are the key properties of ethyl 2-(2,6-dibenzoyl-4-chlorophenyl)-1,3-thiazole-5-carboxylate?
ethyl 2-(2,6-dibenzoyl-4-chlorophenyl)-1,3-thiazole-5-carboxylate has a molecular weight of 475.95 g/mol, XLogP of 6.10, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2,6-dibenzoyl-4-chlorophenyl)-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 141359710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).