N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxamide

C15H13N3O2S — CID 47066448

IUPACN-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
SMILESCc1cc(-c2csc(NC(=O)c3ccccn3)n2)c(C)o1
InChIInChI=1S/C15H13N3O2S/c1-9-7-11(10(2)20-9)13-8-21-15(17-13)18-14(19)12-5-3-4-6-16-12/h3-8H,1-2H3,(H,17,18,19)
InChIKeyIVRMWUDFSLNSDZ-UHFFFAOYSA-N
MW299.36 g/mol
LogP3.67
Rot. Bonds3

About N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxamide

N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxamide (PubChem CID 47066448) has the molecular formula C15H13N3O2S and a molecular weight of 299.36 g/mol. Its IUPAC name is N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
PubChem CID47066448
Molecular FormulaC15H13N3O2S
Molecular Weight299.36 g/mol
Exact Mass299.07
IUPAC NameN-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
SMILESCc1cc(-c2csc(NC(=O)c3ccccn3)n2)c(C)o1
InChIInChI=1S/C15H13N3O2S/c1-9-7-11(10(2)20-9)13-8-21-15(17-13)18-14(19)12-5-3-4-6-16-12/h3-8H,1-2H3,(H,17,18,19)
InChIKeyIVRMWUDFSLNSDZ-UHFFFAOYSA-N
XLogP3.67
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxamide?
The IUPAC name of N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxamide (CID 47066448) is N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxamide?
The canonical SMILES for N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxamide is Cc1cc(-c2csc(NC(=O)c3ccccn3)n2)c(C)o1.
What is the InChIKey of N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxamide?
The InChIKey is IVRMWUDFSLNSDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2S/c1-9-7-11(10(2)20-9)13-8-21-15(17-13)18-14(19)12-5-3-4-6-16-12/h3-8H,1-2H3,(H,17,18,19).
What are the key properties of N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxamide?
N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxamide has a molecular weight of 299.36 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxamide is sourced from PubChem (CID 47066448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).