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

C17H15ClN2O3S — CID 19415409

IUPAC5-[(4-chlorophenoxy)methyl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)furan-2-carboxamide
SMILESCc1nc(NC(=O)c2ccc(COc3ccc(Cl)cc3)o2)sc1C
InChIInChI=1S/C17H15ClN2O3S/c1-10-11(2)24-17(19-10)20-16(21)15-8-7-14(23-15)9-22-13-5-3-12(18)4-6-13/h3-8H,9H2,1-2H3,(H,19,20,21)
InChIKeyOFYPGPLXFPADJN-UHFFFAOYSA-N
MW362.84 g/mol
LogP4.84
Rot. Bonds5

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

5-[(4-chlorophenoxy)methyl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)furan-2-carboxamide (PubChem CID 19415409) has the molecular formula C17H15ClN2O3S and a molecular weight of 362.84 g/mol. Its IUPAC name is 5-[(4-chlorophenoxy)methyl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[(4-chlorophenoxy)methyl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)furan-2-carboxamide
PubChem CID19415409
Molecular FormulaC17H15ClN2O3S
Molecular Weight362.84 g/mol
Exact Mass362.05
IUPAC Name5-[(4-chlorophenoxy)methyl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)furan-2-carboxamide
SMILESCc1nc(NC(=O)c2ccc(COc3ccc(Cl)cc3)o2)sc1C
InChIInChI=1S/C17H15ClN2O3S/c1-10-11(2)24-17(19-10)20-16(21)15-8-7-14(23-15)9-22-13-5-3-12(18)4-6-13/h3-8H,9H2,1-2H3,(H,19,20,21)
InChIKeyOFYPGPLXFPADJN-UHFFFAOYSA-N
XLogP4.84
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.84
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-[(4-nitrophenoxy)methyl]furan-2-carboxamide
CID 19465525
5-[(2,6-dimethylphenoxy)methyl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)furan-2-carboxamide
CID 19446949
N-[5-[(2,5-dichlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-5-[(4-methylphenoxy)methyl]furan-2-carboxamide
CID 43837104
2-[(4-chlorophenoxy)methyl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyrazole-3-carboxamide
CID 19507558
N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-[(4-methyl-2-nitrophenoxy)methyl]furan-2-carboxamide
CID 19462971
N-tert-butyl-5-[(4-chlorophenoxy)methyl]furan-2-carboxamide
CID 717019
5-[(4-chlorophenoxy)methyl]-N-(4-iodophenyl)furan-2-carboxamide
CID 126206502
5-[(4-chlorophenoxy)methyl]-N-(4-methylpyridin-1-ium-2-yl)furan-2-carboxamide
CID 3549006
5-[(4-chlorophenoxy)methyl]-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]furan-2-carboxamide
CID 19284570
N-[5-[(3-bromophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-5-(phenoxymethyl)furan-2-carboxamide
CID 43837087
N-(2,4-dichlorophenyl)-5-[(4-methylphenoxy)methyl]furan-2-carboxamide
CID 18830642
N-(5-chloro-2-methylphenyl)-5-[(4-ethylphenoxy)methyl]furan-2-carboxamide
CID 19415875

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chlorophenoxy)methyl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)furan-2-carboxamide?
The IUPAC name of 5-[(4-chlorophenoxy)methyl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)furan-2-carboxamide (CID 19415409) is 5-[(4-chlorophenoxy)methyl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)furan-2-carboxamide.
What is the SMILES notation for 5-[(4-chlorophenoxy)methyl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)furan-2-carboxamide?
The canonical SMILES for 5-[(4-chlorophenoxy)methyl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)furan-2-carboxamide is Cc1nc(NC(=O)c2ccc(COc3ccc(Cl)cc3)o2)sc1C.
What is the InChIKey of 5-[(4-chlorophenoxy)methyl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)furan-2-carboxamide?
The InChIKey is OFYPGPLXFPADJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O3S/c1-10-11(2)24-17(19-10)20-16(21)15-8-7-14(23-15)9-22-13-5-3-12(18)4-6-13/h3-8H,9H2,1-2H3,(H,19,20,21).
What are the key properties of 5-[(4-chlorophenoxy)methyl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)furan-2-carboxamide?
5-[(4-chlorophenoxy)methyl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)furan-2-carboxamide has a molecular weight of 362.84 g/mol, XLogP of 4.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chlorophenoxy)methyl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)furan-2-carboxamide is sourced from PubChem (CID 19415409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).