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

C18H15ClN2O4S — CID 1242154

IUPACN-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-5-[(2-chlorophenoxy)methyl]furan-2-carboxamide
SMILESCC(=O)c1sc(NC(=O)c2ccc(COc3ccccc3Cl)o2)nc1C
InChIInChI=1S/C18H15ClN2O4S/c1-10-16(11(2)22)26-18(20-10)21-17(23)15-8-7-12(25-15)9-24-14-6-4-3-5-13(14)19/h3-8H,9H2,1-2H3,(H,20,21,23)
InChIKeyGAVBMMNFGHTSDA-UHFFFAOYSA-N
MW390.85 g/mol
LogP4.73
Rot. Bonds6

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

N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-5-[(2-chlorophenoxy)methyl]furan-2-carboxamide (PubChem CID 1242154) has the molecular formula C18H15ClN2O4S and a molecular weight of 390.85 g/mol. Its IUPAC name is N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-5-[(2-chlorophenoxy)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-5-[(2-chlorophenoxy)methyl]furan-2-carboxamide
PubChem CID1242154
Molecular FormulaC18H15ClN2O4S
Molecular Weight390.85 g/mol
Exact Mass390.04
IUPAC NameN-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-5-[(2-chlorophenoxy)methyl]furan-2-carboxamide
SMILESCC(=O)c1sc(NC(=O)c2ccc(COc3ccccc3Cl)o2)nc1C
InChIInChI=1S/C18H15ClN2O4S/c1-10-16(11(2)22)26-18(20-10)21-17(23)15-8-7-12(25-15)9-24-14-6-4-3-5-13(14)19/h3-8H,9H2,1-2H3,(H,20,21,23)
InChIKeyGAVBMMNFGHTSDA-UHFFFAOYSA-N
XLogP4.73
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.85
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-5-[(2-chlorophenoxy)methyl]furan-2-carboxamide?
The IUPAC name of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-5-[(2-chlorophenoxy)methyl]furan-2-carboxamide (CID 1242154) is N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-5-[(2-chlorophenoxy)methyl]furan-2-carboxamide.
What is the SMILES notation for N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-5-[(2-chlorophenoxy)methyl]furan-2-carboxamide?
The canonical SMILES for N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-5-[(2-chlorophenoxy)methyl]furan-2-carboxamide is CC(=O)c1sc(NC(=O)c2ccc(COc3ccccc3Cl)o2)nc1C.
What is the InChIKey of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-5-[(2-chlorophenoxy)methyl]furan-2-carboxamide?
The InChIKey is GAVBMMNFGHTSDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O4S/c1-10-16(11(2)22)26-18(20-10)21-17(23)15-8-7-12(25-15)9-24-14-6-4-3-5-13(14)19/h3-8H,9H2,1-2H3,(H,20,21,23).
What are the key properties of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-5-[(2-chlorophenoxy)methyl]furan-2-carboxamide?
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-5-[(2-chlorophenoxy)methyl]furan-2-carboxamide has a molecular weight of 390.85 g/mol, XLogP of 4.73, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-5-[(2-chlorophenoxy)methyl]furan-2-carboxamide is sourced from PubChem (CID 1242154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).