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

C15H12N2O2S — CID 2811044

IUPACN-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]furan-2-carboxamide
SMILESCc1nc(-c2ccc(NC(=O)c3ccco3)cc2)cs1
InChIInChI=1S/C15H12N2O2S/c1-10-16-13(9-20-10)11-4-6-12(7-5-11)17-15(18)14-3-2-8-19-14/h2-9H,1H3,(H,17,18)
InChIKeyRAHITDISHTVNAA-UHFFFAOYSA-N
MW284.34 g/mol
LogP3.96
Rot. Bonds3

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

N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]furan-2-carboxamide (PubChem CID 2811044) has the molecular formula C15H12N2O2S and a molecular weight of 284.34 g/mol. Its IUPAC name is N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]furan-2-carboxamide
PubChem CID2811044
Molecular FormulaC15H12N2O2S
Molecular Weight284.34 g/mol
Exact Mass284.06
IUPAC NameN-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]furan-2-carboxamide
SMILESCc1nc(-c2ccc(NC(=O)c3ccco3)cc2)cs1
InChIInChI=1S/C15H12N2O2S/c1-10-16-13(9-20-10)11-4-6-12(7-5-11)17-15(18)14-3-2-8-19-14/h2-9H,1H3,(H,17,18)
InChIKeyRAHITDISHTVNAA-UHFFFAOYSA-N
XLogP3.96
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]furan-2-carboxamide (CID 2811044) is N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]furan-2-carboxamide is Cc1nc(-c2ccc(NC(=O)c3ccco3)cc2)cs1.
What is the InChIKey of N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]furan-2-carboxamide?
The InChIKey is RAHITDISHTVNAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2S/c1-10-16-13(9-20-10)11-4-6-12(7-5-11)17-15(18)14-3-2-8-19-14/h2-9H,1H3,(H,17,18).
What are the key properties of N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]furan-2-carboxamide?
N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]furan-2-carboxamide has a molecular weight of 284.34 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 2811044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).