methyl 4-[2-[(2,3-dimethoxybenzoyl)amino]-1,3-thiazol-4-yl]benzoate

C20H18N2O5S — CID 7532996

IUPACmethyl 4-[2-[(2,3-dimethoxybenzoyl)amino]-1,3-thiazol-4-yl]benzoate
SMILESCOC(=O)c1ccc(-c2csc(NC(=O)c3cccc(OC)c3OC)n2)cc1
InChIInChI=1S/C20H18N2O5S/c1-25-16-6-4-5-14(17(16)26-2)18(23)22-20-21-15(11-28-20)12-7-9-13(10-8-12)19(24)27-3/h4-11H,1-3H3,(H,21,22,23)
InChIKeyKFRPRDCYUGOOHW-UHFFFAOYSA-N
MW398.44 g/mol
LogP3.87
Rot. Bonds6

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

methyl 4-[2-[(2,3-dimethoxybenzoyl)amino]-1,3-thiazol-4-yl]benzoate (PubChem CID 7532996) has the molecular formula C20H18N2O5S and a molecular weight of 398.44 g/mol. Its IUPAC name is methyl 4-[2-[(2,3-dimethoxybenzoyl)amino]-1,3-thiazol-4-yl]benzoate.

Molecular Properties

Compound Namemethyl 4-[2-[(2,3-dimethoxybenzoyl)amino]-1,3-thiazol-4-yl]benzoate
PubChem CID7532996
Molecular FormulaC20H18N2O5S
Molecular Weight398.44 g/mol
Exact Mass398.09
IUPAC Namemethyl 4-[2-[(2,3-dimethoxybenzoyl)amino]-1,3-thiazol-4-yl]benzoate
SMILESCOC(=O)c1ccc(-c2csc(NC(=O)c3cccc(OC)c3OC)n2)cc1
InChIInChI=1S/C20H18N2O5S/c1-25-16-6-4-5-14(17(16)26-2)18(23)22-20-21-15(11-28-20)12-7-9-13(10-8-12)19(24)27-3/h4-11H,1-3H3,(H,21,22,23)
InChIKeyKFRPRDCYUGOOHW-UHFFFAOYSA-N
XLogP3.87
TPSA86.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.44
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2,3-dimethoxy-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide
CID 22581346
N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-2,3-dimethoxybenzamide
CID 19582579
2,3-dimethoxy-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 2970631
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(difluoromethoxy)-3-methoxybenzamide
CID 55341280
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methoxybenzamide
CID 868787
N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-2,3-dimethoxybenzamide
CID 8702490
2-methoxy-N-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 4530772
[(2S)-1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] 2,3-dimethoxybenzoate
CID 2503288
2,3-dimethoxy-N-[4-(4-nitrothiophen-2-yl)-1,3-thiazol-2-yl]benzamide
CID 7243954
methyl 2-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]carbamoyl]benzoate
CID 108798618
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]naphthalene-1-carboxamide
CID 5083822
methyl 4-[2-(2-methylpropanoylamino)-1,3-thiazol-4-yl]benzoate
CID 17424348

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-[(2,3-dimethoxybenzoyl)amino]-1,3-thiazol-4-yl]benzoate?
The IUPAC name of methyl 4-[2-[(2,3-dimethoxybenzoyl)amino]-1,3-thiazol-4-yl]benzoate (CID 7532996) is methyl 4-[2-[(2,3-dimethoxybenzoyl)amino]-1,3-thiazol-4-yl]benzoate.
What is the SMILES notation for methyl 4-[2-[(2,3-dimethoxybenzoyl)amino]-1,3-thiazol-4-yl]benzoate?
The canonical SMILES for methyl 4-[2-[(2,3-dimethoxybenzoyl)amino]-1,3-thiazol-4-yl]benzoate is COC(=O)c1ccc(-c2csc(NC(=O)c3cccc(OC)c3OC)n2)cc1.
What is the InChIKey of methyl 4-[2-[(2,3-dimethoxybenzoyl)amino]-1,3-thiazol-4-yl]benzoate?
The InChIKey is KFRPRDCYUGOOHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O5S/c1-25-16-6-4-5-14(17(16)26-2)18(23)22-20-21-15(11-28-20)12-7-9-13(10-8-12)19(24)27-3/h4-11H,1-3H3,(H,21,22,23).
What are the key properties of methyl 4-[2-[(2,3-dimethoxybenzoyl)amino]-1,3-thiazol-4-yl]benzoate?
methyl 4-[2-[(2,3-dimethoxybenzoyl)amino]-1,3-thiazol-4-yl]benzoate has a molecular weight of 398.44 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-[(2,3-dimethoxybenzoyl)amino]-1,3-thiazol-4-yl]benzoate is sourced from PubChem (CID 7532996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).