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

C16H14N2O2S — CID 27702222

IUPAC2,5-dimethyl-N-[4-(1,3-thiazol-2-yl)phenyl]furan-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(-c3nccs3)cc2)c(C)o1
InChIInChI=1S/C16H14N2O2S/c1-10-9-14(11(2)20-10)15(19)18-13-5-3-12(4-6-13)16-17-7-8-21-16/h3-9H,1-2H3,(H,18,19)
InChIKeyYAXRAHXSDCNKCG-UHFFFAOYSA-N
MW298.37 g/mol
LogP4.27
Rot. Bonds3

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

2,5-dimethyl-N-[4-(1,3-thiazol-2-yl)phenyl]furan-3-carboxamide (PubChem CID 27702222) has the molecular formula C16H14N2O2S and a molecular weight of 298.37 g/mol. Its IUPAC name is 2,5-dimethyl-N-[4-(1,3-thiazol-2-yl)phenyl]furan-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[4-(1,3-thiazol-2-yl)phenyl]furan-3-carboxamide
PubChem CID27702222
Molecular FormulaC16H14N2O2S
Molecular Weight298.37 g/mol
Exact Mass298.08
IUPAC Name2,5-dimethyl-N-[4-(1,3-thiazol-2-yl)phenyl]furan-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(-c3nccs3)cc2)c(C)o1
InChIInChI=1S/C16H14N2O2S/c1-10-9-14(11(2)20-10)15(19)18-13-5-3-12(4-6-13)16-17-7-8-21-16/h3-9H,1-2H3,(H,18,19)
InChIKeyYAXRAHXSDCNKCG-UHFFFAOYSA-N
XLogP4.27
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,4,6-trimethyl-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide
CID 84534803
2,5-difluoro-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide
CID 17487764
3-methoxy-N-[4-(1,3-thiazol-2-yl)phenyl]naphthalene-2-carboxamide
CID 9114839
8-methoxy-2-oxo-N-[4-(1,3-thiazol-2-yl)phenyl]chromene-3-carboxamide
CID 27701547
4-amino-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide
CID 60926943
3-fluoro-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide
CID 8795595
methyl 2,4-dimethyl-5-[[4-(1,3-thiazol-2-yl)phenyl]carbamoyl]-1H-pyrrole-3-carboxylate
CID 34552152
2-chloro-4-nitro-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide
CID 8795566
2,5-dimethyl-N-pyridin-3-ylfuran-3-carboxamide
CID 1225414
(2R)-2-amino-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide
CID 54995648
N-(4-methylphenyl)-2-[2-oxo-2-[4-(1,3-thiazol-2-yl)anilino]ethyl]sulfanylacetamide
CID 27701903
3-methoxy-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide
CID 51108495

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[4-(1,3-thiazol-2-yl)phenyl]furan-3-carboxamide?
The IUPAC name of 2,5-dimethyl-N-[4-(1,3-thiazol-2-yl)phenyl]furan-3-carboxamide (CID 27702222) is 2,5-dimethyl-N-[4-(1,3-thiazol-2-yl)phenyl]furan-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-[4-(1,3-thiazol-2-yl)phenyl]furan-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-[4-(1,3-thiazol-2-yl)phenyl]furan-3-carboxamide is Cc1cc(C(=O)Nc2ccc(-c3nccs3)cc2)c(C)o1.
What is the InChIKey of 2,5-dimethyl-N-[4-(1,3-thiazol-2-yl)phenyl]furan-3-carboxamide?
The InChIKey is YAXRAHXSDCNKCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2S/c1-10-9-14(11(2)20-10)15(19)18-13-5-3-12(4-6-13)16-17-7-8-21-16/h3-9H,1-2H3,(H,18,19).
What are the key properties of 2,5-dimethyl-N-[4-(1,3-thiazol-2-yl)phenyl]furan-3-carboxamide?
2,5-dimethyl-N-[4-(1,3-thiazol-2-yl)phenyl]furan-3-carboxamide has a molecular weight of 298.37 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[4-(1,3-thiazol-2-yl)phenyl]furan-3-carboxamide is sourced from PubChem (CID 27702222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).