methyl 2-[(3,4-difluorobenzoyl)amino]-1,3-thiazole-5-carboxylate

C12H8F2N2O3S — CID 18103744

IUPACmethyl 2-[(3,4-difluorobenzoyl)amino]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1cnc(NC(=O)c2ccc(F)c(F)c2)s1
InChIInChI=1S/C12H8F2N2O3S/c1-19-11(18)9-5-15-12(20-9)16-10(17)6-2-3-7(13)8(14)4-6/h2-5H,1H3,(H,15,16,17)
InChIKeyWUYOEJZJJKRNBQ-UHFFFAOYSA-N
MW298.27 g/mol
LogP2.46
Rot. Bonds3

About methyl 2-[(3,4-difluorobenzoyl)amino]-1,3-thiazole-5-carboxylate

methyl 2-[(3,4-difluorobenzoyl)amino]-1,3-thiazole-5-carboxylate (PubChem CID 18103744) has the molecular formula C12H8F2N2O3S and a molecular weight of 298.27 g/mol. Its IUPAC name is methyl 2-[(3,4-difluorobenzoyl)amino]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(3,4-difluorobenzoyl)amino]-1,3-thiazole-5-carboxylate
PubChem CID18103744
Molecular FormulaC12H8F2N2O3S
Molecular Weight298.27 g/mol
Exact Mass298.02
IUPAC Namemethyl 2-[(3,4-difluorobenzoyl)amino]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1cnc(NC(=O)c2ccc(F)c(F)c2)s1
InChIInChI=1S/C12H8F2N2O3S/c1-19-11(18)9-5-15-12(20-9)16-10(17)6-2-3-7(13)8(14)4-6/h2-5H,1H3,(H,15,16,17)
InChIKeyWUYOEJZJJKRNBQ-UHFFFAOYSA-N
XLogP2.46
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.27
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[(4-chlorobenzoyl)amino]-1,3-thiazole-5-carboxylate
CID 18103549
methyl 2-[(3-fluorobenzoyl)amino]-1,3-thiazole-5-carboxylate
CID 17415241
methyl 2-[[2-(3,4-difluorophenyl)sulfanylacetyl]amino]-1,3-thiazole-5-carboxylate
CID 18103762
methyl 2-[(4-phenoxybenzoyl)amino]-1,3-thiazole-5-carboxylate
CID 39725172
methyl 2-(2,4,5-trifluoroanilino)-1,3-thiazole-5-carboxylate
CID 80571341
methyl 2-(5-chloro-2-fluoroanilino)-1,3-thiazole-5-carboxylate
CID 80572347
methyl 2-[[4-(1,3-dithian-2-yl)benzoyl]amino]-1,3-thiazole-5-carboxylate
CID 18103750
4-fluoro-3-methyl-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 63212388
methyl 2-(2-fluoro-5-methylanilino)-1,3-thiazole-5-carboxylate
CID 80572029
methyl 2-[[4-chloro-3-(2-oxopyrrolidin-1-yl)benzoyl]amino]-1,3-thiazole-5-carboxylate
CID 18103779
methyl 2-[(2-chloro-5-methylsulfanylbenzoyl)amino]-1,3-thiazole-5-carboxylate
CID 18103591
methyl 2-(3-cyano-4-fluoroanilino)-1,3-thiazole-5-carboxylate
CID 80571491

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3,4-difluorobenzoyl)amino]-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 2-[(3,4-difluorobenzoyl)amino]-1,3-thiazole-5-carboxylate (CID 18103744) is methyl 2-[(3,4-difluorobenzoyl)amino]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 2-[(3,4-difluorobenzoyl)amino]-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 2-[(3,4-difluorobenzoyl)amino]-1,3-thiazole-5-carboxylate is COC(=O)c1cnc(NC(=O)c2ccc(F)c(F)c2)s1.
What is the InChIKey of methyl 2-[(3,4-difluorobenzoyl)amino]-1,3-thiazole-5-carboxylate?
The InChIKey is WUYOEJZJJKRNBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F2N2O3S/c1-19-11(18)9-5-15-12(20-9)16-10(17)6-2-3-7(13)8(14)4-6/h2-5H,1H3,(H,15,16,17).
What are the key properties of methyl 2-[(3,4-difluorobenzoyl)amino]-1,3-thiazole-5-carboxylate?
methyl 2-[(3,4-difluorobenzoyl)amino]-1,3-thiazole-5-carboxylate has a molecular weight of 298.27 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3,4-difluorobenzoyl)amino]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 18103744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).