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

C10H9BrN2O2S — CID 106853946

IUPAC2-bromo-N-[(4-methyl-1,3-thiazol-5-yl)methyl]furan-3-carboxamide
SMILESCc1ncsc1CNC(=O)c1ccoc1Br
InChIInChI=1S/C10H9BrN2O2S/c1-6-8(16-5-13-6)4-12-10(14)7-2-3-15-9(7)11/h2-3,5H,4H2,1H3,(H,12,14)
InChIKeyGHEKXMHXHFNEBZ-UHFFFAOYSA-N
MW301.17 g/mol
LogP2.74
Rot. Bonds3

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

2-bromo-N-[(4-methyl-1,3-thiazol-5-yl)methyl]furan-3-carboxamide (PubChem CID 106853946) has the molecular formula C10H9BrN2O2S and a molecular weight of 301.17 g/mol. Its IUPAC name is 2-bromo-N-[(4-methyl-1,3-thiazol-5-yl)methyl]furan-3-carboxamide.

Molecular Properties

Compound Name2-bromo-N-[(4-methyl-1,3-thiazol-5-yl)methyl]furan-3-carboxamide
PubChem CID106853946
Molecular FormulaC10H9BrN2O2S
Molecular Weight301.17 g/mol
Exact Mass299.96
IUPAC Name2-bromo-N-[(4-methyl-1,3-thiazol-5-yl)methyl]furan-3-carboxamide
SMILESCc1ncsc1CNC(=O)c1ccoc1Br
InChIInChI=1S/C10H9BrN2O2S/c1-6-8(16-5-13-6)4-12-10(14)7-2-3-15-9(7)11/h2-3,5H,4H2,1H3,(H,12,14)
InChIKeyGHEKXMHXHFNEBZ-UHFFFAOYSA-N
XLogP2.74
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.17
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-4-fluoro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 55171879
2-bromo-4-chloro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 113257504
4-bromo-2-fluoro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 63283747
4-iodo-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 63283968
2-bromo-N-[(6-methyl-2-pyridinyl)methyl]furan-3-carboxamide
CID 106853869
2-bromo-N-[(3-methyl-2-pyridinyl)methyl]furan-3-carboxamide
CID 106853950
2,6-dichloro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridine-3-carboxamide
CID 113232226
6-bromo-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridine-2-carboxamide
CID 103875321
5-chloro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,3,4-thiadiazole-2-carboxamide
CID 80618520
5-chloro-2-iodo-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 113231985
2-bromo-N-[(4-methyl-1,3-thiazol-5-yl)methyl]acetamide
CID 63681267
2-amino-5-chloro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridine-4-carboxamide
CID 114923513

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(4-methyl-1,3-thiazol-5-yl)methyl]furan-3-carboxamide?
The IUPAC name of 2-bromo-N-[(4-methyl-1,3-thiazol-5-yl)methyl]furan-3-carboxamide (CID 106853946) is 2-bromo-N-[(4-methyl-1,3-thiazol-5-yl)methyl]furan-3-carboxamide.
What is the SMILES notation for 2-bromo-N-[(4-methyl-1,3-thiazol-5-yl)methyl]furan-3-carboxamide?
The canonical SMILES for 2-bromo-N-[(4-methyl-1,3-thiazol-5-yl)methyl]furan-3-carboxamide is Cc1ncsc1CNC(=O)c1ccoc1Br.
What is the InChIKey of 2-bromo-N-[(4-methyl-1,3-thiazol-5-yl)methyl]furan-3-carboxamide?
The InChIKey is GHEKXMHXHFNEBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2O2S/c1-6-8(16-5-13-6)4-12-10(14)7-2-3-15-9(7)11/h2-3,5H,4H2,1H3,(H,12,14).
What are the key properties of 2-bromo-N-[(4-methyl-1,3-thiazol-5-yl)methyl]furan-3-carboxamide?
2-bromo-N-[(4-methyl-1,3-thiazol-5-yl)methyl]furan-3-carboxamide has a molecular weight of 301.17 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(4-methyl-1,3-thiazol-5-yl)methyl]furan-3-carboxamide is sourced from PubChem (CID 106853946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).