methyl 2-[(3-fluorobenzoyl)amino]-1,3-thiazole-5-carboxylate

C12H9FN2O3S — CID 17415241

IUPACmethyl 2-[(3-fluorobenzoyl)amino]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1cnc(NC(=O)c2cccc(F)c2)s1
InChIInChI=1S/C12H9FN2O3S/c1-18-11(17)9-6-14-12(19-9)15-10(16)7-3-2-4-8(13)5-7/h2-6H,1H3,(H,14,15,16)
InChIKeyGXKILMRNCHXFHY-UHFFFAOYSA-N
MW280.28 g/mol
LogP2.32
Rot. Bonds3

About methyl 2-[(3-fluorobenzoyl)amino]-1,3-thiazole-5-carboxylate

methyl 2-[(3-fluorobenzoyl)amino]-1,3-thiazole-5-carboxylate (PubChem CID 17415241) has the molecular formula C12H9FN2O3S and a molecular weight of 280.28 g/mol. Its IUPAC name is methyl 2-[(3-fluorobenzoyl)amino]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(3-fluorobenzoyl)amino]-1,3-thiazole-5-carboxylate
PubChem CID17415241
Molecular FormulaC12H9FN2O3S
Molecular Weight280.28 g/mol
Exact Mass280.03
IUPAC Namemethyl 2-[(3-fluorobenzoyl)amino]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1cnc(NC(=O)c2cccc(F)c2)s1
InChIInChI=1S/C12H9FN2O3S/c1-18-11(17)9-6-14-12(19-9)15-10(16)7-3-2-4-8(13)5-7/h2-6H,1H3,(H,14,15,16)
InChIKeyGXKILMRNCHXFHY-UHFFFAOYSA-N
XLogP2.32
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[(3,4-difluorobenzoyl)amino]-1,3-thiazole-5-carboxylate
CID 18103744
methyl 2-[(4-chlorobenzoyl)amino]-1,3-thiazole-5-carboxylate
CID 18103549
methyl 2-[[3-(cyclopropylsulfamoyl)benzoyl]amino]-1,3-thiazole-5-carboxylate
CID 18287628
methyl 2-[(4-phenoxybenzoyl)amino]-1,3-thiazole-5-carboxylate
CID 39725172
methyl 2-[(2,3-dichlorobenzoyl)amino]-1,3-thiazole-5-carboxylate
CID 18101566
methyl 3-fluorobenzoate
CID 521184
methyl 2-(4-fluoro-2-iodoanilino)-1,3-thiazole-5-carboxylate
CID 80572767
methyl 5-[(3-fluorobenzoyl)amino]thiadiazole-4-carboxylate
CID 29139793
methyl 2-[(2-chloro-5-methylsulfanylbenzoyl)amino]-1,3-thiazole-5-carboxylate
CID 18103591
methyl 2-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]-1,3-thiazole-5-carboxylate
CID 18103661
methyl 2-[3-[[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]carbamoyl]phenoxy]acetate
CID 55873263
3-fluoro-N-(2-methoxy-3-pyridinyl)benzamide
CID 47038518

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3-fluorobenzoyl)amino]-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 2-[(3-fluorobenzoyl)amino]-1,3-thiazole-5-carboxylate (CID 17415241) is methyl 2-[(3-fluorobenzoyl)amino]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 2-[(3-fluorobenzoyl)amino]-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 2-[(3-fluorobenzoyl)amino]-1,3-thiazole-5-carboxylate is COC(=O)c1cnc(NC(=O)c2cccc(F)c2)s1.
What is the InChIKey of methyl 2-[(3-fluorobenzoyl)amino]-1,3-thiazole-5-carboxylate?
The InChIKey is GXKILMRNCHXFHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN2O3S/c1-18-11(17)9-6-14-12(19-9)15-10(16)7-3-2-4-8(13)5-7/h2-6H,1H3,(H,14,15,16).
What are the key properties of methyl 2-[(3-fluorobenzoyl)amino]-1,3-thiazole-5-carboxylate?
methyl 2-[(3-fluorobenzoyl)amino]-1,3-thiazole-5-carboxylate has a molecular weight of 280.28 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3-fluorobenzoyl)amino]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 17415241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).