2-methyl-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)furan-3-carboxamide

C16H14N2O2S — CID 5222858

IUPAC2-methyl-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)furan-3-carboxamide
SMILESCc1occc1C(=O)Nc1nc(-c2ccccc2)c(C)s1
InChIInChI=1S/C16H14N2O2S/c1-10-13(8-9-20-10)15(19)18-16-17-14(11(2)21-16)12-6-4-3-5-7-12/h3-9H,1-2H3,(H,17,18,19)
InChIKeyNFSQEYSLGVLQIE-UHFFFAOYSA-N
MW298.37 g/mol
LogP4.27
Rot. Bonds3

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

2-methyl-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)furan-3-carboxamide (PubChem CID 5222858) has the molecular formula C16H14N2O2S and a molecular weight of 298.37 g/mol. Its IUPAC name is 2-methyl-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)furan-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)furan-3-carboxamide
PubChem CID5222858
Molecular FormulaC16H14N2O2S
Molecular Weight298.37 g/mol
Exact Mass298.08
IUPAC Name2-methyl-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)furan-3-carboxamide
SMILESCc1occc1C(=O)Nc1nc(-c2ccccc2)c(C)s1
InChIInChI=1S/C16H14N2O2S/c1-10-13(8-9-20-10)15(19)18-16-17-14(11(2)21-16)12-6-4-3-5-7-12/h3-9H,1-2H3,(H,17,18,19)
InChIKeyNFSQEYSLGVLQIE-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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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)furan-3-carboxamide?
The IUPAC name of 2-methyl-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)furan-3-carboxamide (CID 5222858) is 2-methyl-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)furan-3-carboxamide.
What is the SMILES notation for 2-methyl-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)furan-3-carboxamide?
The canonical SMILES for 2-methyl-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)furan-3-carboxamide is Cc1occc1C(=O)Nc1nc(-c2ccccc2)c(C)s1.
What is the InChIKey of 2-methyl-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)furan-3-carboxamide?
The InChIKey is NFSQEYSLGVLQIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2S/c1-10-13(8-9-20-10)15(19)18-16-17-14(11(2)21-16)12-6-4-3-5-7-12/h3-9H,1-2H3,(H,17,18,19).
What are the key properties of 2-methyl-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)furan-3-carboxamide?
2-methyl-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)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-methyl-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)furan-3-carboxamide is sourced from PubChem (CID 5222858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).