ethyl 2-[[2-(4-bromophenyl)sulfanylpyridine-3-carbonyl]amino]-1,3-thiazole-4-carboxylate

C18H14BrN3O3S2 — CID 55333477

IUPACethyl 2-[[2-(4-bromophenyl)sulfanylpyridine-3-carbonyl]amino]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(NC(=O)c2cccnc2Sc2ccc(Br)cc2)n1
InChIInChI=1S/C18H14BrN3O3S2/c1-2-25-17(24)14-10-26-18(21-14)22-15(23)13-4-3-9-20-16(13)27-12-7-5-11(19)6-8-12/h3-10H,2H2,1H3,(H,21,22,23)
InChIKeyVGUOZZZNBKWNFL-UHFFFAOYSA-N
MW464.37 g/mol
LogP4.88
Rot. Bonds6

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

ethyl 2-[[2-(4-bromophenyl)sulfanylpyridine-3-carbonyl]amino]-1,3-thiazole-4-carboxylate (PubChem CID 55333477) has the molecular formula C18H14BrN3O3S2 and a molecular weight of 464.37 g/mol. Its IUPAC name is ethyl 2-[[2-(4-bromophenyl)sulfanylpyridine-3-carbonyl]amino]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[[2-(4-bromophenyl)sulfanylpyridine-3-carbonyl]amino]-1,3-thiazole-4-carboxylate
PubChem CID55333477
Molecular FormulaC18H14BrN3O3S2
Molecular Weight464.37 g/mol
Exact Mass462.97
IUPAC Nameethyl 2-[[2-(4-bromophenyl)sulfanylpyridine-3-carbonyl]amino]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(NC(=O)c2cccnc2Sc2ccc(Br)cc2)n1
InChIInChI=1S/C18H14BrN3O3S2/c1-2-25-17(24)14-10-26-18(21-14)22-15(23)13-4-3-9-20-16(13)27-12-7-5-11(19)6-8-12/h3-10H,2H2,1H3,(H,21,22,23)
InChIKeyVGUOZZZNBKWNFL-UHFFFAOYSA-N
XLogP4.88
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.37
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 2-[[2-(4-bromophenyl)sulfanylpyridine-3-carbonyl]amino]-1,3-thiazole-4-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

ethyl 2-[(2-phenoxypyridine-3-carbonyl)amino]-1,3-thiazole-4-carboxylate
CID 55354839
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-(3,4-dimethylphenyl)sulfanylpyridine-3-carboxamide
CID 18153647
ethyl 2-[(2-bromo-5-methoxybenzoyl)amino]-1,3-thiazole-4-carboxylate
CID 51146296
methyl 4-[[2-(4-bromophenyl)sulfanylpyridine-3-carbonyl]amino]-3-methylbenzoate
CID 55538146
ethyl 2-[(4-bromophenyl)methylamino]-1,3-thiazole-4-carboxylate
CID 80567799
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-ethoxypyridine-3-carboxamide
CID 16551700
ethyl 2-[(1-methylindole-4-carbonyl)amino]-1,3-thiazole-4-carboxylate
CID 71702427
N-(4-acetyl-1,3-thiazol-2-yl)-2-(2,4-dimethylphenyl)sulfanylpyridine-3-carboxamide
CID 55435410
2-(4-bromophenyl)sulfanyl-N-[2-chloro-5-(propanoylamino)phenyl]pyridine-3-carboxamide
CID 55799391
ethyl 2-[(2-amino-1,3-thiazole-4-carbonyl)amino]-1,3-thiazole-4-carboxylate
CID 59799123
propan-2-yl 2-[[2-(4-bromophenyl)sulfanylpyridine-3-carbonyl]amino]acetate
CID 56550977
ethyl 2-[[4-[4-[(4-ethoxycarbonyl-1,3-thiazol-2-yl)carbamoyl]phenoxy]benzoyl]amino]-1,3-thiazole-4-carboxylate
CID 5218735

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(4-bromophenyl)sulfanylpyridine-3-carbonyl]amino]-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-[[2-(4-bromophenyl)sulfanylpyridine-3-carbonyl]amino]-1,3-thiazole-4-carboxylate (CID 55333477) is ethyl 2-[[2-(4-bromophenyl)sulfanylpyridine-3-carbonyl]amino]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-[[2-(4-bromophenyl)sulfanylpyridine-3-carbonyl]amino]-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-[[2-(4-bromophenyl)sulfanylpyridine-3-carbonyl]amino]-1,3-thiazole-4-carboxylate is CCOC(=O)c1csc(NC(=O)c2cccnc2Sc2ccc(Br)cc2)n1.
What is the InChIKey of ethyl 2-[[2-(4-bromophenyl)sulfanylpyridine-3-carbonyl]amino]-1,3-thiazole-4-carboxylate?
The InChIKey is VGUOZZZNBKWNFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrN3O3S2/c1-2-25-17(24)14-10-26-18(21-14)22-15(23)13-4-3-9-20-16(13)27-12-7-5-11(19)6-8-12/h3-10H,2H2,1H3,(H,21,22,23).
What are the key properties of ethyl 2-[[2-(4-bromophenyl)sulfanylpyridine-3-carbonyl]amino]-1,3-thiazole-4-carboxylate?
ethyl 2-[[2-(4-bromophenyl)sulfanylpyridine-3-carbonyl]amino]-1,3-thiazole-4-carboxylate has a molecular weight of 464.37 g/mol, XLogP of 4.88, 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-bromophenyl)sulfanylpyridine-3-carbonyl]amino]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 55333477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).