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

C13H11BrN4O2S — CID 3459929

IUPAC5-[(4-bromopyrazol-1-yl)methyl]-N-(5-methyl-1,3-thiazol-2-yl)furan-2-carboxamide
SMILESCc1cnc(NC(=O)c2ccc(Cn3cc(Br)cn3)o2)s1
InChIInChI=1S/C13H11BrN4O2S/c1-8-4-15-13(21-8)17-12(19)11-3-2-10(20-11)7-18-6-9(14)5-16-18/h2-6H,7H2,1H3,(H,15,17,19)
InChIKeyJMODRMBTTWUPRE-UHFFFAOYSA-N
MW367.23 g/mol
LogP3.30
Rot. Bonds4

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

5-[(4-bromopyrazol-1-yl)methyl]-N-(5-methyl-1,3-thiazol-2-yl)furan-2-carboxamide (PubChem CID 3459929) has the molecular formula C13H11BrN4O2S and a molecular weight of 367.23 g/mol. Its IUPAC name is 5-[(4-bromopyrazol-1-yl)methyl]-N-(5-methyl-1,3-thiazol-2-yl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[(4-bromopyrazol-1-yl)methyl]-N-(5-methyl-1,3-thiazol-2-yl)furan-2-carboxamide
PubChem CID3459929
Molecular FormulaC13H11BrN4O2S
Molecular Weight367.23 g/mol
Exact Mass365.98
IUPAC Name5-[(4-bromopyrazol-1-yl)methyl]-N-(5-methyl-1,3-thiazol-2-yl)furan-2-carboxamide
SMILESCc1cnc(NC(=O)c2ccc(Cn3cc(Br)cn3)o2)s1
InChIInChI=1S/C13H11BrN4O2S/c1-8-4-15-13(21-8)17-12(19)11-3-2-10(20-11)7-18-6-9(14)5-16-18/h2-6H,7H2,1H3,(H,15,17,19)
InChIKeyJMODRMBTTWUPRE-UHFFFAOYSA-N
XLogP3.30
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.23
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-bromopyrazol-1-yl)methyl]-N-(5-methyl-1,3-thiazol-2-yl)furan-2-carboxamide?
The IUPAC name of 5-[(4-bromopyrazol-1-yl)methyl]-N-(5-methyl-1,3-thiazol-2-yl)furan-2-carboxamide (CID 3459929) is 5-[(4-bromopyrazol-1-yl)methyl]-N-(5-methyl-1,3-thiazol-2-yl)furan-2-carboxamide.
What is the SMILES notation for 5-[(4-bromopyrazol-1-yl)methyl]-N-(5-methyl-1,3-thiazol-2-yl)furan-2-carboxamide?
The canonical SMILES for 5-[(4-bromopyrazol-1-yl)methyl]-N-(5-methyl-1,3-thiazol-2-yl)furan-2-carboxamide is Cc1cnc(NC(=O)c2ccc(Cn3cc(Br)cn3)o2)s1.
What is the InChIKey of 5-[(4-bromopyrazol-1-yl)methyl]-N-(5-methyl-1,3-thiazol-2-yl)furan-2-carboxamide?
The InChIKey is JMODRMBTTWUPRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN4O2S/c1-8-4-15-13(21-8)17-12(19)11-3-2-10(20-11)7-18-6-9(14)5-16-18/h2-6H,7H2,1H3,(H,15,17,19).
What are the key properties of 5-[(4-bromopyrazol-1-yl)methyl]-N-(5-methyl-1,3-thiazol-2-yl)furan-2-carboxamide?
5-[(4-bromopyrazol-1-yl)methyl]-N-(5-methyl-1,3-thiazol-2-yl)furan-2-carboxamide has a molecular weight of 367.23 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-bromopyrazol-1-yl)methyl]-N-(5-methyl-1,3-thiazol-2-yl)furan-2-carboxamide is sourced from PubChem (CID 3459929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).