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

C18H14N2O4S — CID 39725172

IUPACmethyl 2-[(4-phenoxybenzoyl)amino]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1cnc(NC(=O)c2ccc(Oc3ccccc3)cc2)s1
InChIInChI=1S/C18H14N2O4S/c1-23-17(22)15-11-19-18(25-15)20-16(21)12-7-9-14(10-8-12)24-13-5-3-2-4-6-13/h2-11H,1H3,(H,19,20,21)
InChIKeyANBSNYFFWMMLKH-UHFFFAOYSA-N
MW354.39 g/mol
LogP3.97
Rot. Bonds5

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

methyl 2-[(4-phenoxybenzoyl)amino]-1,3-thiazole-5-carboxylate (PubChem CID 39725172) has the molecular formula C18H14N2O4S and a molecular weight of 354.39 g/mol. Its IUPAC name is methyl 2-[(4-phenoxybenzoyl)amino]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(4-phenoxybenzoyl)amino]-1,3-thiazole-5-carboxylate
PubChem CID39725172
Molecular FormulaC18H14N2O4S
Molecular Weight354.39 g/mol
Exact Mass354.07
IUPAC Namemethyl 2-[(4-phenoxybenzoyl)amino]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1cnc(NC(=O)c2ccc(Oc3ccccc3)cc2)s1
InChIInChI=1S/C18H14N2O4S/c1-23-17(22)15-11-19-18(25-15)20-16(21)12-7-9-14(10-8-12)24-13-5-3-2-4-6-13/h2-11H,1H3,(H,19,20,21)
InChIKeyANBSNYFFWMMLKH-UHFFFAOYSA-N
XLogP3.97
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.39
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[(4-chlorobenzoyl)amino]-1,3-thiazole-5-carboxylate
CID 18103549
methyl 2-[(3,4-difluorobenzoyl)amino]-1,3-thiazole-5-carboxylate
CID 18103744
methyl 2-[(3-fluorobenzoyl)amino]-1,3-thiazole-5-carboxylate
CID 17415241
methyl 2-[[4-(1,3-dithian-2-yl)benzoyl]amino]-1,3-thiazole-5-carboxylate
CID 18103750
methyl 2-[[4-[[2-(trifluoromethyl)anilino]methyl]benzoyl]amino]-1,3-thiazole-5-carboxylate
CID 145489247
N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-4-phenoxybenzamide
CID 16651562
N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-4-phenoxybenzamide
CID 16651563
methyl 2-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]-1,3-thiazole-5-carboxylate
CID 18103802
methyl 2-[[2-(2-chlorophenyl)acetyl]amino]-1,3-thiazole-5-carboxylate
CID 18103649
methyl 2-[(2,3-dichlorobenzoyl)amino]-1,3-thiazole-5-carboxylate
CID 18101566
methyl 2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-1,3-thiazole-5-carboxylate
CID 39725242
methyl 2-[[2-(4-propanoylphenoxy)acetyl]amino]-1,3-thiazole-5-carboxylate
CID 18101572

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-phenoxybenzoyl)amino]-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 2-[(4-phenoxybenzoyl)amino]-1,3-thiazole-5-carboxylate (CID 39725172) is methyl 2-[(4-phenoxybenzoyl)amino]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 2-[(4-phenoxybenzoyl)amino]-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 2-[(4-phenoxybenzoyl)amino]-1,3-thiazole-5-carboxylate is COC(=O)c1cnc(NC(=O)c2ccc(Oc3ccccc3)cc2)s1.
What is the InChIKey of methyl 2-[(4-phenoxybenzoyl)amino]-1,3-thiazole-5-carboxylate?
The InChIKey is ANBSNYFFWMMLKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O4S/c1-23-17(22)15-11-19-18(25-15)20-16(21)12-7-9-14(10-8-12)24-13-5-3-2-4-6-13/h2-11H,1H3,(H,19,20,21).
What are the key properties of methyl 2-[(4-phenoxybenzoyl)amino]-1,3-thiazole-5-carboxylate?
methyl 2-[(4-phenoxybenzoyl)amino]-1,3-thiazole-5-carboxylate has a molecular weight of 354.39 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-phenoxybenzoyl)amino]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 39725172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).