methyl 4-[2-[(2-chloro-6-fluorobenzoyl)amino]-1,3-thiazol-4-yl]benzoate

C18H12ClFN2O3S — CID 43951074

IUPACmethyl 4-[2-[(2-chloro-6-fluorobenzoyl)amino]-1,3-thiazol-4-yl]benzoate
SMILESCOC(=O)c1ccc(-c2csc(NC(=O)c3c(F)cccc3Cl)n2)cc1
InChIInChI=1S/C18H12ClFN2O3S/c1-25-17(24)11-7-5-10(6-8-11)14-9-26-18(21-14)22-16(23)15-12(19)3-2-4-13(15)20/h2-9H,1H3,(H,21,22,23)
InChIKeyNLGFUJBTCFAJNX-UHFFFAOYSA-N
MW390.82 g/mol
LogP4.64
Rot. Bonds4

About methyl 4-[2-[(2-chloro-6-fluorobenzoyl)amino]-1,3-thiazol-4-yl]benzoate

methyl 4-[2-[(2-chloro-6-fluorobenzoyl)amino]-1,3-thiazol-4-yl]benzoate (PubChem CID 43951074) has the molecular formula C18H12ClFN2O3S and a molecular weight of 390.82 g/mol. Its IUPAC name is methyl 4-[2-[(2-chloro-6-fluorobenzoyl)amino]-1,3-thiazol-4-yl]benzoate.

Molecular Properties

Compound Namemethyl 4-[2-[(2-chloro-6-fluorobenzoyl)amino]-1,3-thiazol-4-yl]benzoate
PubChem CID43951074
Molecular FormulaC18H12ClFN2O3S
Molecular Weight390.82 g/mol
Exact Mass390.02
IUPAC Namemethyl 4-[2-[(2-chloro-6-fluorobenzoyl)amino]-1,3-thiazol-4-yl]benzoate
SMILESCOC(=O)c1ccc(-c2csc(NC(=O)c3c(F)cccc3Cl)n2)cc1
InChIInChI=1S/C18H12ClFN2O3S/c1-25-17(24)11-7-5-10(6-8-11)14-9-26-18(21-14)22-16(23)15-12(19)3-2-4-13(15)20/h2-9H,1H3,(H,21,22,23)
InChIKeyNLGFUJBTCFAJNX-UHFFFAOYSA-N
XLogP4.64
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.82
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 4-[2-[(2-chloro-6-fluorobenzoyl)amino]-1,3-thiazol-4-yl]benzoate 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

2-chloro-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 853310
Methyl 4-(2-aminothiazol-4-yl)benzoate
CID 2060012
Methyl 2-[(4-phenyl-1,3-thiazol-2-yl)carbamoyl]benzoate
CID 58033027
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]benzamide
CID 8747235
(e)-Ethyl 2-((2-(4-(2-chlorophenyl)thiazol-2-yl)hydrazono)methyl)benzoate
CID 129892292
methyl 4-[(E)-{2-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene}methyl]benzoate
CID 9668037
2-chloro-N-(4-(4-isopropylphenyl)thiazol-2-yl)benzamide
CID 998058
2-chloro-N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]benzamide
CID 1548454
Ethyl 4-[2-[(2-ethoxy-2-oxoacetyl)amino]-1,3-thiazol-4-yl]benzoate
CID 13177566
Ethyl 4-[2-[(2-methoxy-2-oxoacetyl)amino]-1,3-thiazol-4-yl]benzoate
CID 13177590
Ethyl 4-[2-[(2-butoxy-2-oxoacetyl)amino]-1,3-thiazol-4-yl]benzoate
CID 13177591
SIRT5 inhibitor 5
CID 166642412

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-[(2-chloro-6-fluorobenzoyl)amino]-1,3-thiazol-4-yl]benzoate?
The IUPAC name of methyl 4-[2-[(2-chloro-6-fluorobenzoyl)amino]-1,3-thiazol-4-yl]benzoate (CID 43951074) is methyl 4-[2-[(2-chloro-6-fluorobenzoyl)amino]-1,3-thiazol-4-yl]benzoate.
What is the SMILES notation for methyl 4-[2-[(2-chloro-6-fluorobenzoyl)amino]-1,3-thiazol-4-yl]benzoate?
The canonical SMILES for methyl 4-[2-[(2-chloro-6-fluorobenzoyl)amino]-1,3-thiazol-4-yl]benzoate is COC(=O)c1ccc(-c2csc(NC(=O)c3c(F)cccc3Cl)n2)cc1.
What is the InChIKey of methyl 4-[2-[(2-chloro-6-fluorobenzoyl)amino]-1,3-thiazol-4-yl]benzoate?
The InChIKey is NLGFUJBTCFAJNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClFN2O3S/c1-25-17(24)11-7-5-10(6-8-11)14-9-26-18(21-14)22-16(23)15-12(19)3-2-4-13(15)20/h2-9H,1H3,(H,21,22,23).
What are the key properties of methyl 4-[2-[(2-chloro-6-fluorobenzoyl)amino]-1,3-thiazol-4-yl]benzoate?
methyl 4-[2-[(2-chloro-6-fluorobenzoyl)amino]-1,3-thiazol-4-yl]benzoate has a molecular weight of 390.82 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-[(2-chloro-6-fluorobenzoyl)amino]-1,3-thiazol-4-yl]benzoate is sourced from PubChem (CID 43951074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).