methyl 3-(2-amino-5-benzoyl-1,3-thiazol-4-yl)benzoate

C18H14N2O3S — CID 87074568

IUPACmethyl 3-(2-amino-5-benzoyl-1,3-thiazol-4-yl)benzoate
SMILESCOC(=O)c1cccc(-c2nc(N)sc2C(=O)c2ccccc2)c1
InChIInChI=1S/C18H14N2O3S/c1-23-17(22)13-9-5-8-12(10-13)14-16(24-18(19)20-14)15(21)11-6-3-2-4-7-11/h2-10H,1H3,(H2,19,20)
InChIKeyPOONXQNTCZBFMI-UHFFFAOYSA-N
MW338.39 g/mol
LogP3.41
Rot. Bonds4

About methyl 3-(2-amino-5-benzoyl-1,3-thiazol-4-yl)benzoate

methyl 3-(2-amino-5-benzoyl-1,3-thiazol-4-yl)benzoate (PubChem CID 87074568) has the molecular formula C18H14N2O3S and a molecular weight of 338.39 g/mol. Its IUPAC name is methyl 3-(2-amino-5-benzoyl-1,3-thiazol-4-yl)benzoate.

Molecular Properties

Compound Namemethyl 3-(2-amino-5-benzoyl-1,3-thiazol-4-yl)benzoate
PubChem CID87074568
Molecular FormulaC18H14N2O3S
Molecular Weight338.39 g/mol
Exact Mass338.07
IUPAC Namemethyl 3-(2-amino-5-benzoyl-1,3-thiazol-4-yl)benzoate
SMILESCOC(=O)c1cccc(-c2nc(N)sc2C(=O)c2ccccc2)c1
InChIInChI=1S/C18H14N2O3S/c1-23-17(22)13-9-5-8-12(10-13)14-16(24-18(19)20-14)15(21)11-6-3-2-4-7-11/h2-10H,1H3,(H2,19,20)
InChIKeyPOONXQNTCZBFMI-UHFFFAOYSA-N
XLogP3.41
TPSA82.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-amino-4-(3-chlorophenyl)-1,3-thiazol-5-yl]-(3-fluorophenyl)methanone
CID 88566066
3-[(2-amino-4-phenyl-1,3-thiazole-5-carbonyl)amino]benzoic acid
CID 39194623
2-amino-N-(2-methoxyethyl)-4-phenyl-1,3-thiazole-5-carboxamide
CID 39071451
methyl 3-[4-(6-amino-3,5-dimethylpyrazin-2-yl)phenyl]benzoate
CID 70992018
methyl 3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzoate
CID 18613878
[2-amino-4-(4-chlorophenyl)-1,3-thiazol-5-yl]-(3-fluorophenyl)methanone
CID 87075128
[5-(2-amino-5-benzoyl-1,3-thiazol-4-yl)furan-2-yl]phosphonic acid
CID 58972099
methyl 3-(6-aminopyridazin-3-yl)benzoate
CID 86682701
methyl 3-(2-amino-4-pyridinyl)benzoate
CID 82556028
methyl 3-[[4-amino-5-(naphthalene-2-carbonyl)-1,3-thiazol-2-yl]amino]benzoate
CID 20590571
methyl 3-pyrimidin-2-ylbenzoate
CID 69487031
methyl 2-amino-4-[4-(cyclopropylcarbamoyl)phenyl]-1,3-thiazole-5-carboxylate
CID 86616445

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-amino-5-benzoyl-1,3-thiazol-4-yl)benzoate?
The IUPAC name of methyl 3-(2-amino-5-benzoyl-1,3-thiazol-4-yl)benzoate (CID 87074568) is methyl 3-(2-amino-5-benzoyl-1,3-thiazol-4-yl)benzoate.
What is the SMILES notation for methyl 3-(2-amino-5-benzoyl-1,3-thiazol-4-yl)benzoate?
The canonical SMILES for methyl 3-(2-amino-5-benzoyl-1,3-thiazol-4-yl)benzoate is COC(=O)c1cccc(-c2nc(N)sc2C(=O)c2ccccc2)c1.
What is the InChIKey of methyl 3-(2-amino-5-benzoyl-1,3-thiazol-4-yl)benzoate?
The InChIKey is POONXQNTCZBFMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O3S/c1-23-17(22)13-9-5-8-12(10-13)14-16(24-18(19)20-14)15(21)11-6-3-2-4-7-11/h2-10H,1H3,(H2,19,20).
What are the key properties of methyl 3-(2-amino-5-benzoyl-1,3-thiazol-4-yl)benzoate?
methyl 3-(2-amino-5-benzoyl-1,3-thiazol-4-yl)benzoate has a molecular weight of 338.39 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-amino-5-benzoyl-1,3-thiazol-4-yl)benzoate is sourced from PubChem (CID 87074568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).