5-[(2-chlorophenoxy)methyl]-N-(1,3-thiazol-2-yl)furan-2-carboxamide

C15H11ClN2O3S — CID 903491

IUPAC5-[(2-chlorophenoxy)methyl]-N-(1,3-thiazol-2-yl)furan-2-carboxamide
SMILESO=C(Nc1nccs1)c1ccc(COc2ccccc2Cl)o1
InChIInChI=1S/C15H11ClN2O3S/c16-11-3-1-2-4-12(11)20-9-10-5-6-13(21-10)14(19)18-15-17-7-8-22-15/h1-8H,9H2,(H,17,18,19)
InChIKeyMXJRBSHPGJZFBQ-UHFFFAOYSA-N
MW334.78 g/mol
LogP4.22
Rot. Bonds5

About 5-[(2-chlorophenoxy)methyl]-N-(1,3-thiazol-2-yl)furan-2-carboxamide

5-[(2-chlorophenoxy)methyl]-N-(1,3-thiazol-2-yl)furan-2-carboxamide (PubChem CID 903491) has the molecular formula C15H11ClN2O3S and a molecular weight of 334.78 g/mol. Its IUPAC name is 5-[(2-chlorophenoxy)methyl]-N-(1,3-thiazol-2-yl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[(2-chlorophenoxy)methyl]-N-(1,3-thiazol-2-yl)furan-2-carboxamide
PubChem CID903491
Molecular FormulaC15H11ClN2O3S
Molecular Weight334.78 g/mol
Exact Mass334.02
IUPAC Name5-[(2-chlorophenoxy)methyl]-N-(1,3-thiazol-2-yl)furan-2-carboxamide
SMILESO=C(Nc1nccs1)c1ccc(COc2ccccc2Cl)o1
InChIInChI=1S/C15H11ClN2O3S/c16-11-3-1-2-4-12(11)20-9-10-5-6-13(21-10)14(19)18-15-17-7-8-22-15/h1-8H,9H2,(H,17,18,19)
InChIKeyMXJRBSHPGJZFBQ-UHFFFAOYSA-N
XLogP4.22
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.78
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(3-chlorophenoxy)methyl]-N-(4-methyl-2-thiazolyl)-2-furancarboxamide
CID 50904134
5-(phenoxymethyl)-N-(1,3-thiazol-2-yl)furan-2-carboxamide
CID 2967498
5-[(4-chlorophenoxy)methyl]-N-1,3-thiazol-2-yl-2-furamide
CID 717217
5-[(4-fluorophenoxy)methyl]-N-(1,3-thiazol-2-yl)furan-2-carboxamide
CID 726956
5-(4-chlorophenyl)-N-(1,3-thiazol-2-yl)furan-2-carboxamide
CID 1084411
5-[(3,4-dimethylphenoxy)methyl]-N-(1,3-thiazol-2-yl)furan-2-carboxamide
CID 2192756
7-Chloro-3-methyl-N-(thiazol-2-yl)benzofuran-2-carboxamide
CID 8004356
2-Thiazolamine, N-[4-chloro-3-(2-furanylmethoxy)phenyl]-
CID 15956098
5-[(4-methylphenoxy)methyl]-N-(1,3-thiazol-2-yl)furan-2-carboxamide
CID 648119
5-(2,4-dichlorophenyl)-N-(1,3-thiazol-2-yl)furan-2-carboxamide
CID 851180
5-(2-chlorophenyl)-N-(1,3-thiazol-2-yl)furan-2-carboxamide
CID 1084407
5-(phenylsulfanylmethyl)-N-(1,3-thiazol-2-yl)furan-2-carboxamide
CID 2146631

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chlorophenoxy)methyl]-N-(1,3-thiazol-2-yl)furan-2-carboxamide?
The IUPAC name of 5-[(2-chlorophenoxy)methyl]-N-(1,3-thiazol-2-yl)furan-2-carboxamide (CID 903491) is 5-[(2-chlorophenoxy)methyl]-N-(1,3-thiazol-2-yl)furan-2-carboxamide.
What is the SMILES notation for 5-[(2-chlorophenoxy)methyl]-N-(1,3-thiazol-2-yl)furan-2-carboxamide?
The canonical SMILES for 5-[(2-chlorophenoxy)methyl]-N-(1,3-thiazol-2-yl)furan-2-carboxamide is O=C(Nc1nccs1)c1ccc(COc2ccccc2Cl)o1.
What is the InChIKey of 5-[(2-chlorophenoxy)methyl]-N-(1,3-thiazol-2-yl)furan-2-carboxamide?
The InChIKey is MXJRBSHPGJZFBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O3S/c16-11-3-1-2-4-12(11)20-9-10-5-6-13(21-10)14(19)18-15-17-7-8-22-15/h1-8H,9H2,(H,17,18,19).
What are the key properties of 5-[(2-chlorophenoxy)methyl]-N-(1,3-thiazol-2-yl)furan-2-carboxamide?
5-[(2-chlorophenoxy)methyl]-N-(1,3-thiazol-2-yl)furan-2-carboxamide has a molecular weight of 334.78 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chlorophenoxy)methyl]-N-(1,3-thiazol-2-yl)furan-2-carboxamide is sourced from PubChem (CID 903491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).