methyl 5-[[(4-phenyl-1,3-thiazol-2-yl)amino]methyl]furan-2-carboxylate

C16H14N2O3S — CID 133387998

IUPACmethyl 5-[[(4-phenyl-1,3-thiazol-2-yl)amino]methyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(CNc2nc(-c3ccccc3)cs2)o1
InChIInChI=1S/C16H14N2O3S/c1-20-15(19)14-8-7-12(21-14)9-17-16-18-13(10-22-16)11-5-3-2-4-6-11/h2-8,10H,9H2,1H3,(H,17,18)
InChIKeyWRVFYTXDTDCTHQ-UHFFFAOYSA-N
MW314.37 g/mol
LogP3.80
Rot. Bonds5

About methyl 5-[[(4-phenyl-1,3-thiazol-2-yl)amino]methyl]furan-2-carboxylate

methyl 5-[[(4-phenyl-1,3-thiazol-2-yl)amino]methyl]furan-2-carboxylate (PubChem CID 133387998) has the molecular formula C16H14N2O3S and a molecular weight of 314.37 g/mol. Its IUPAC name is methyl 5-[[(4-phenyl-1,3-thiazol-2-yl)amino]methyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[(4-phenyl-1,3-thiazol-2-yl)amino]methyl]furan-2-carboxylate
PubChem CID133387998
Molecular FormulaC16H14N2O3S
Molecular Weight314.37 g/mol
Exact Mass314.07
IUPAC Namemethyl 5-[[(4-phenyl-1,3-thiazol-2-yl)amino]methyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(CNc2nc(-c3ccccc3)cs2)o1
InChIInChI=1S/C16H14N2O3S/c1-20-15(19)14-8-7-12(21-14)9-17-16-18-13(10-22-16)11-5-3-2-4-6-11/h2-8,10H,9H2,1H3,(H,17,18)
InChIKeyWRVFYTXDTDCTHQ-UHFFFAOYSA-N
XLogP3.80
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 5-[[2,6-dimethoxy-4-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]methyl]furan-2-carboxylate
CID 168576697
N-ethyl-2-[(4-phenyl-1,3-thiazol-2-yl)amino]acetamide
CID 86802898
methyl 6-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methylamino]pyridazine-3-carboxylate
CID 108776253
2-(4-ethylphenyl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 43951133
methyl 2-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methylcarbamoyl]benzoate
CID 108739699
N-[[5-[2-(2-phenylethylamino)-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide
CID 31060887
methyl 5-[[(6-fluoro-2-pyridinyl)amino]methyl]furan-2-carboxylate
CID 115628469
methyl N-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]carbamate
CID 47299409
methyl 2-(4-phenyl-1,3-thiazol-2-yl)benzoate
CID 142384414
2-methoxy-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]acetamide
CID 108739717
2-(2-methoxyethylamino)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide;hydrochloride
CID 119670239
2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethanol
CID 15573942

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[(4-phenyl-1,3-thiazol-2-yl)amino]methyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[[(4-phenyl-1,3-thiazol-2-yl)amino]methyl]furan-2-carboxylate (CID 133387998) is methyl 5-[[(4-phenyl-1,3-thiazol-2-yl)amino]methyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[[(4-phenyl-1,3-thiazol-2-yl)amino]methyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[[(4-phenyl-1,3-thiazol-2-yl)amino]methyl]furan-2-carboxylate is COC(=O)c1ccc(CNc2nc(-c3ccccc3)cs2)o1.
What is the InChIKey of methyl 5-[[(4-phenyl-1,3-thiazol-2-yl)amino]methyl]furan-2-carboxylate?
The InChIKey is WRVFYTXDTDCTHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3S/c1-20-15(19)14-8-7-12(21-14)9-17-16-18-13(10-22-16)11-5-3-2-4-6-11/h2-8,10H,9H2,1H3,(H,17,18).
What are the key properties of methyl 5-[[(4-phenyl-1,3-thiazol-2-yl)amino]methyl]furan-2-carboxylate?
methyl 5-[[(4-phenyl-1,3-thiazol-2-yl)amino]methyl]furan-2-carboxylate has a molecular weight of 314.37 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[(4-phenyl-1,3-thiazol-2-yl)amino]methyl]furan-2-carboxylate is sourced from PubChem (CID 133387998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).