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

C15H12N2O3S — CID 84566051

IUPACmethyl 3-[[4-(furan-2-yl)-1,3-thiazol-2-yl]amino]benzoate
SMILESCOC(=O)c1cccc(Nc2nc(-c3ccco3)cs2)c1
InChIInChI=1S/C15H12N2O3S/c1-19-14(18)10-4-2-5-11(8-10)16-15-17-12(9-21-15)13-6-3-7-20-13/h2-9H,1H3,(H,16,17)
InChIKeyYELHMLGPHDAQRJ-UHFFFAOYSA-N
MW300.34 g/mol
LogP3.93
Rot. Bonds4

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

methyl 3-[[4-(furan-2-yl)-1,3-thiazol-2-yl]amino]benzoate (PubChem CID 84566051) has the molecular formula C15H12N2O3S and a molecular weight of 300.34 g/mol. Its IUPAC name is methyl 3-[[4-(furan-2-yl)-1,3-thiazol-2-yl]amino]benzoate.

Molecular Properties

Compound Namemethyl 3-[[4-(furan-2-yl)-1,3-thiazol-2-yl]amino]benzoate
PubChem CID84566051
Molecular FormulaC15H12N2O3S
Molecular Weight300.34 g/mol
Exact Mass300.06
IUPAC Namemethyl 3-[[4-(furan-2-yl)-1,3-thiazol-2-yl]amino]benzoate
SMILESCOC(=O)c1cccc(Nc2nc(-c3ccco3)cs2)c1
InChIInChI=1S/C15H12N2O3S/c1-19-14(18)10-4-2-5-11(8-10)16-15-17-12(9-21-15)13-6-3-7-20-13/h2-9H,1H3,(H,16,17)
InChIKeyYELHMLGPHDAQRJ-UHFFFAOYSA-N
XLogP3.93
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

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-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]benzoate
CID 84565441
methyl 3-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]amino]benzoate
CID 84565454
methyl 3-[[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]amino]benzoate
CID 84565448
3-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]benzamide
CID 142684609
N-[4-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]furan-2-carboxamide
CID 42765515
3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]benzamide
CID 71478317
3-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]benzoate
CID 4224537
N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-3-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide
CID 55722702
3-[(4-phenyl-1,3-thiazol-2-yl)amino]benzoic acid;hydrobromide
CID 146051372
3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide
CID 58791547
methyl 3-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)amino]benzoate
CID 82133986

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[4-(furan-2-yl)-1,3-thiazol-2-yl]amino]benzoate?
The IUPAC name of methyl 3-[[4-(furan-2-yl)-1,3-thiazol-2-yl]amino]benzoate (CID 84566051) is methyl 3-[[4-(furan-2-yl)-1,3-thiazol-2-yl]amino]benzoate.
What is the SMILES notation for methyl 3-[[4-(furan-2-yl)-1,3-thiazol-2-yl]amino]benzoate?
The canonical SMILES for methyl 3-[[4-(furan-2-yl)-1,3-thiazol-2-yl]amino]benzoate is COC(=O)c1cccc(Nc2nc(-c3ccco3)cs2)c1.
What is the InChIKey of methyl 3-[[4-(furan-2-yl)-1,3-thiazol-2-yl]amino]benzoate?
The InChIKey is YELHMLGPHDAQRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3S/c1-19-14(18)10-4-2-5-11(8-10)16-15-17-12(9-21-15)13-6-3-7-20-13/h2-9H,1H3,(H,16,17).
What are the key properties of methyl 3-[[4-(furan-2-yl)-1,3-thiazol-2-yl]amino]benzoate?
methyl 3-[[4-(furan-2-yl)-1,3-thiazol-2-yl]amino]benzoate has a molecular weight of 300.34 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[4-(furan-2-yl)-1,3-thiazol-2-yl]amino]benzoate is sourced from PubChem (CID 84566051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).