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

C16H10Cl2N2O2S — CID 143557037

IUPACamino 3-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]benzoate
SMILESNOC(=O)c1cccc(-c2nc(-c3ccc(Cl)cc3Cl)cs2)c1
InChIInChI=1S/C16H10Cl2N2O2S/c17-11-4-5-12(13(18)7-11)14-8-23-15(20-14)9-2-1-3-10(6-9)16(21)22-19/h1-8H,19H2
InChIKeyWVMWCUXFHMWFNM-UHFFFAOYSA-N
MW365.24 g/mol
LogP4.81
Rot. Bonds3

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

amino 3-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]benzoate (PubChem CID 143557037) has the molecular formula C16H10Cl2N2O2S and a molecular weight of 365.24 g/mol. Its IUPAC name is amino 3-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]benzoate.

Molecular Properties

Compound Nameamino 3-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]benzoate
PubChem CID143557037
Molecular FormulaC16H10Cl2N2O2S
Molecular Weight365.24 g/mol
Exact Mass363.98
IUPAC Nameamino 3-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]benzoate
SMILESNOC(=O)c1cccc(-c2nc(-c3ccc(Cl)cc3Cl)cs2)c1
InChIInChI=1S/C16H10Cl2N2O2S/c17-11-4-5-12(13(18)7-11)14-8-23-15(20-14)9-2-1-3-10(6-9)16(21)22-19/h1-8H,19H2
InChIKeyWVMWCUXFHMWFNM-UHFFFAOYSA-N
XLogP4.81
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.24
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]benzoic acid
CID 1483674
3-[4-(3-chloro-4-pyridinyl)-1,3-thiazol-2-yl]benzamide
CID 122133830
methyl 2-bromo-5-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]benzoate
CID 141449706
4-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 5167161
4-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]benzoic acid
CID 63529998
4-(2,4-dichlorophenyl)-1,3-thiazol-2-amine
CID 704237
methyl 3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzoate
CID 18613878
methyl 3-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzoate
CID 80555016
2-(3-acetylphenyl)-5-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]benzoic acid
CID 86679858
[2-(3,4-difluorophenyl)-2-oxoethyl] 2-(3-chlorophenyl)-1,3-thiazole-4-carboxylate
CID 27789234
2,4-dichloro-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 23796735
5-[4-(4-amino-2-chlorophenyl)-1,3-thiazol-2-yl]-N-cyclopropyl-2-fluorobenzamide
CID 145149558

Frequently Asked Questions

What is the IUPAC name of amino 3-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]benzoate?
The IUPAC name of amino 3-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]benzoate (CID 143557037) is amino 3-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]benzoate.
What is the SMILES notation for amino 3-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]benzoate?
The canonical SMILES for amino 3-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]benzoate is NOC(=O)c1cccc(-c2nc(-c3ccc(Cl)cc3Cl)cs2)c1.
What is the InChIKey of amino 3-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]benzoate?
The InChIKey is WVMWCUXFHMWFNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl2N2O2S/c17-11-4-5-12(13(18)7-11)14-8-23-15(20-14)9-2-1-3-10(6-9)16(21)22-19/h1-8H,19H2.
What are the key properties of amino 3-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]benzoate?
amino 3-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]benzoate has a molecular weight of 365.24 g/mol, XLogP of 4.81, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for amino 3-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]benzoate is sourced from PubChem (CID 143557037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).