5-[(3-chlorophenoxy)methyl]-N-(4-methyl-1,3-thiazol-2-yl)furan-2-carboxamide

C16H13ClN2O3S — CID 50904134

IUPAC5-[(3-chlorophenoxy)methyl]-N-(4-methyl-1,3-thiazol-2-yl)furan-2-carboxamide
SMILESCc1csc(NC(=O)c2ccc(COc3cccc(Cl)c3)o2)n1
InChIInChI=1S/C16H13ClN2O3S/c1-10-9-23-16(18-10)19-15(20)14-6-5-13(22-14)8-21-12-4-2-3-11(17)7-12/h2-7,9H,8H2,1H3,(H,18,19,20)
InChIKeyKFOOHRHDHDMWHL-UHFFFAOYSA-N
MW348.81 g/mol
LogP4.53
Rot. Bonds5

About 5-[(3-chlorophenoxy)methyl]-N-(4-methyl-1,3-thiazol-2-yl)furan-2-carboxamide

5-[(3-chlorophenoxy)methyl]-N-(4-methyl-1,3-thiazol-2-yl)furan-2-carboxamide (PubChem CID 50904134) has the molecular formula C16H13ClN2O3S and a molecular weight of 348.81 g/mol. Its IUPAC name is 5-[(3-chlorophenoxy)methyl]-N-(4-methyl-1,3-thiazol-2-yl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[(3-chlorophenoxy)methyl]-N-(4-methyl-1,3-thiazol-2-yl)furan-2-carboxamide
PubChem CID50904134
Molecular FormulaC16H13ClN2O3S
Molecular Weight348.81 g/mol
Exact Mass348.03
IUPAC Name5-[(3-chlorophenoxy)methyl]-N-(4-methyl-1,3-thiazol-2-yl)furan-2-carboxamide
SMILESCc1csc(NC(=O)c2ccc(COc3cccc(Cl)c3)o2)n1
InChIInChI=1S/C16H13ClN2O3S/c1-10-9-23-16(18-10)19-15(20)14-6-5-13(22-14)8-21-12-4-2-3-11(17)7-12/h2-7,9H,8H2,1H3,(H,18,19,20)
InChIKeyKFOOHRHDHDMWHL-UHFFFAOYSA-N
XLogP4.53
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.81
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-chlorophenoxy)methyl]-N-(4-methyl-1,3-thiazol-2-yl)furan-2-carboxamide?
The IUPAC name of 5-[(3-chlorophenoxy)methyl]-N-(4-methyl-1,3-thiazol-2-yl)furan-2-carboxamide (CID 50904134) is 5-[(3-chlorophenoxy)methyl]-N-(4-methyl-1,3-thiazol-2-yl)furan-2-carboxamide.
What is the SMILES notation for 5-[(3-chlorophenoxy)methyl]-N-(4-methyl-1,3-thiazol-2-yl)furan-2-carboxamide?
The canonical SMILES for 5-[(3-chlorophenoxy)methyl]-N-(4-methyl-1,3-thiazol-2-yl)furan-2-carboxamide is Cc1csc(NC(=O)c2ccc(COc3cccc(Cl)c3)o2)n1.
What is the InChIKey of 5-[(3-chlorophenoxy)methyl]-N-(4-methyl-1,3-thiazol-2-yl)furan-2-carboxamide?
The InChIKey is KFOOHRHDHDMWHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O3S/c1-10-9-23-16(18-10)19-15(20)14-6-5-13(22-14)8-21-12-4-2-3-11(17)7-12/h2-7,9H,8H2,1H3,(H,18,19,20).
What are the key properties of 5-[(3-chlorophenoxy)methyl]-N-(4-methyl-1,3-thiazol-2-yl)furan-2-carboxamide?
5-[(3-chlorophenoxy)methyl]-N-(4-methyl-1,3-thiazol-2-yl)furan-2-carboxamide has a molecular weight of 348.81 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-chlorophenoxy)methyl]-N-(4-methyl-1,3-thiazol-2-yl)furan-2-carboxamide is sourced from PubChem (CID 50904134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).