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

C17H13ClN2O2S — CID 84565441

IUPACmethyl 3-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]benzoate
SMILESCOC(=O)c1cccc(Nc2nc(-c3ccc(Cl)cc3)cs2)c1
InChIInChI=1S/C17H13ClN2O2S/c1-22-16(21)12-3-2-4-14(9-12)19-17-20-15(10-23-17)11-5-7-13(18)8-6-11/h2-10H,1H3,(H,19,20)
InChIKeyVUCFCSRSHASOPG-UHFFFAOYSA-N
MW344.82 g/mol
LogP4.99
Rot. Bonds4

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

methyl 3-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]benzoate (PubChem CID 84565441) has the molecular formula C17H13ClN2O2S and a molecular weight of 344.82 g/mol. Its IUPAC name is methyl 3-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]benzoate.

Molecular Properties

Compound Namemethyl 3-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]benzoate
PubChem CID84565441
Molecular FormulaC17H13ClN2O2S
Molecular Weight344.82 g/mol
Exact Mass344.04
IUPAC Namemethyl 3-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]benzoate
SMILESCOC(=O)c1cccc(Nc2nc(-c3ccc(Cl)cc3)cs2)c1
InChIInChI=1S/C17H13ClN2O2S/c1-22-16(21)12-3-2-4-14(9-12)19-17-20-15(10-23-17)11-5-7-13(18)8-6-11/h2-10H,1H3,(H,19,20)
InChIKeyVUCFCSRSHASOPG-UHFFFAOYSA-N
XLogP4.99
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.82
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 3-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]benzoate with MolForge

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Related Compounds

methyl 3-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]amino]benzoate
CID 84565454
methyl 3-[[4-[5-[2-(3-methoxycarbonylanilino)-1,3-thiazol-4-yl]-3-pyridinyl]-1,3-thiazol-2-yl]amino]benzoate
CID 139227752
methyl 3-[[4-(furan-2-yl)-1,3-thiazol-2-yl]amino]benzoate
CID 84566051
3-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]phenol
CID 877802
methyl 3-[[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]amino]benzoate
CID 84565448
4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]benzamide
CID 46880290
N-[4-[2-(3-chloroanilino)-1,3-thiazol-4-yl]phenyl]-3-methoxybenzamide
CID 3694257
1-[4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]phenyl]ethanone
CID 84564240
3-[(4-phenyl-1,3-thiazol-2-yl)amino]benzoic acid;hydrobromide
CID 146051372
3-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]benzamide
CID 142684609
3-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]benzoate
CID 4224537
N-[3-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]phenyl]acetamide
CID 84565354

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]benzoate?
The IUPAC name of methyl 3-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]benzoate (CID 84565441) is methyl 3-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]benzoate.
What is the SMILES notation for methyl 3-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]benzoate?
The canonical SMILES for methyl 3-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]benzoate is COC(=O)c1cccc(Nc2nc(-c3ccc(Cl)cc3)cs2)c1.
What is the InChIKey of methyl 3-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]benzoate?
The InChIKey is VUCFCSRSHASOPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O2S/c1-22-16(21)12-3-2-4-14(9-12)19-17-20-15(10-23-17)11-5-7-13(18)8-6-11/h2-10H,1H3,(H,19,20).
What are the key properties of methyl 3-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]benzoate?
methyl 3-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]benzoate has a molecular weight of 344.82 g/mol, XLogP of 4.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]benzoate is sourced from PubChem (CID 84565441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).