5-(4-chlorophenyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)furan-2-carboxamide

C14H11ClN2O2S — CID 924639

IUPAC5-(4-chlorophenyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)furan-2-carboxamide
SMILESO=C(NC1=NCCS1)c1ccc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C14H11ClN2O2S/c15-10-3-1-9(2-4-10)11-5-6-12(19-11)13(18)17-14-16-7-8-20-14/h1-6H,7-8H2,(H,16,17,18)
InChIKeyOFLJDKFQDPUHJG-UHFFFAOYSA-N
MW306.77 g/mol
LogP3.43
Rot. Bonds2

About 5-(4-chlorophenyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)furan-2-carboxamide

5-(4-chlorophenyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)furan-2-carboxamide (PubChem CID 924639) has the molecular formula C14H11ClN2O2S and a molecular weight of 306.77 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)furan-2-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)furan-2-carboxamide
PubChem CID924639
Molecular FormulaC14H11ClN2O2S
Molecular Weight306.77 g/mol
Exact Mass306.02
IUPAC Name5-(4-chlorophenyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)furan-2-carboxamide
SMILESO=C(NC1=NCCS1)c1ccc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C14H11ClN2O2S/c15-10-3-1-9(2-4-10)11-5-6-12(19-11)13(18)17-14-16-7-8-20-14/h1-6H,7-8H2,(H,16,17,18)
InChIKeyOFLJDKFQDPUHJG-UHFFFAOYSA-N
XLogP3.43
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.77
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)furan-2-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)furan-2-carboxamide (CID 924639) is 5-(4-chlorophenyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)furan-2-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)furan-2-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)furan-2-carboxamide is O=C(NC1=NCCS1)c1ccc(-c2ccc(Cl)cc2)o1.
What is the InChIKey of 5-(4-chlorophenyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)furan-2-carboxamide?
The InChIKey is OFLJDKFQDPUHJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O2S/c15-10-3-1-9(2-4-10)11-5-6-12(19-11)13(18)17-14-16-7-8-20-14/h1-6H,7-8H2,(H,16,17,18).
What are the key properties of 5-(4-chlorophenyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)furan-2-carboxamide?
5-(4-chlorophenyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)furan-2-carboxamide has a molecular weight of 306.77 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)furan-2-carboxamide is sourced from PubChem (CID 924639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).