5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-(4-methyl-1,3-thiazol-2-yl)furan-2-carboxamide

C15H15BrN4O2S — CID 15995598

IUPAC5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-(4-methyl-1,3-thiazol-2-yl)furan-2-carboxamide
SMILESCc1csc(NC(=O)c2ccc(Cn3nc(C)c(Br)c3C)o2)n1
InChIInChI=1S/C15H15BrN4O2S/c1-8-7-23-15(17-8)18-14(21)12-5-4-11(22-12)6-20-10(3)13(16)9(2)19-20/h4-5,7H,6H2,1-3H3,(H,17,18,21)
InChIKeyKFAUNGFCLDJVOD-UHFFFAOYSA-N
MW395.28 g/mol
LogP3.92
Rot. Bonds4

About 5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-(4-methyl-1,3-thiazol-2-yl)furan-2-carboxamide

5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-(4-methyl-1,3-thiazol-2-yl)furan-2-carboxamide (PubChem CID 15995598) has the molecular formula C15H15BrN4O2S and a molecular weight of 395.28 g/mol. Its IUPAC name is 5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-(4-methyl-1,3-thiazol-2-yl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-(4-methyl-1,3-thiazol-2-yl)furan-2-carboxamide
PubChem CID15995598
Molecular FormulaC15H15BrN4O2S
Molecular Weight395.28 g/mol
Exact Mass394.01
IUPAC Name5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-(4-methyl-1,3-thiazol-2-yl)furan-2-carboxamide
SMILESCc1csc(NC(=O)c2ccc(Cn3nc(C)c(Br)c3C)o2)n1
InChIInChI=1S/C15H15BrN4O2S/c1-8-7-23-15(17-8)18-14(21)12-5-4-11(22-12)6-20-10(3)13(16)9(2)19-20/h4-5,7H,6H2,1-3H3,(H,17,18,21)
InChIKeyKFAUNGFCLDJVOD-UHFFFAOYSA-N
XLogP3.92
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.28
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-(4-methyl-1,3-thiazol-2-yl)furan-2-carboxamide?
The IUPAC name of 5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-(4-methyl-1,3-thiazol-2-yl)furan-2-carboxamide (CID 15995598) is 5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-(4-methyl-1,3-thiazol-2-yl)furan-2-carboxamide.
What is the SMILES notation for 5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-(4-methyl-1,3-thiazol-2-yl)furan-2-carboxamide?
The canonical SMILES for 5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-(4-methyl-1,3-thiazol-2-yl)furan-2-carboxamide is Cc1csc(NC(=O)c2ccc(Cn3nc(C)c(Br)c3C)o2)n1.
What is the InChIKey of 5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-(4-methyl-1,3-thiazol-2-yl)furan-2-carboxamide?
The InChIKey is KFAUNGFCLDJVOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN4O2S/c1-8-7-23-15(17-8)18-14(21)12-5-4-11(22-12)6-20-10(3)13(16)9(2)19-20/h4-5,7H,6H2,1-3H3,(H,17,18,21).
What are the key properties of 5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-(4-methyl-1,3-thiazol-2-yl)furan-2-carboxamide?
5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-(4-methyl-1,3-thiazol-2-yl)furan-2-carboxamide has a molecular weight of 395.28 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-(4-methyl-1,3-thiazol-2-yl)furan-2-carboxamide is sourced from PubChem (CID 15995598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).