2-bromo-N-methyl-N-(1,3-thiazol-4-ylmethyl)furan-3-carboxamide

C10H9BrN2O2S — CID 106853803

IUPAC2-bromo-N-methyl-N-(1,3-thiazol-4-ylmethyl)furan-3-carboxamide
SMILESCN(Cc1cscn1)C(=O)c1ccoc1Br
InChIInChI=1S/C10H9BrN2O2S/c1-13(4-7-5-16-6-12-7)10(14)8-2-3-15-9(8)11/h2-3,5-6H,4H2,1H3
InChIKeyQWSFTDRDPAMKTE-UHFFFAOYSA-N
MW301.17 g/mol
LogP2.77
Rot. Bonds3

About 2-bromo-N-methyl-N-(1,3-thiazol-4-ylmethyl)furan-3-carboxamide

2-bromo-N-methyl-N-(1,3-thiazol-4-ylmethyl)furan-3-carboxamide (PubChem CID 106853803) has the molecular formula C10H9BrN2O2S and a molecular weight of 301.17 g/mol. Its IUPAC name is 2-bromo-N-methyl-N-(1,3-thiazol-4-ylmethyl)furan-3-carboxamide.

Molecular Properties

Compound Name2-bromo-N-methyl-N-(1,3-thiazol-4-ylmethyl)furan-3-carboxamide
PubChem CID106853803
Molecular FormulaC10H9BrN2O2S
Molecular Weight301.17 g/mol
Exact Mass299.96
IUPAC Name2-bromo-N-methyl-N-(1,3-thiazol-4-ylmethyl)furan-3-carboxamide
SMILESCN(Cc1cscn1)C(=O)c1ccoc1Br
InChIInChI=1S/C10H9BrN2O2S/c1-13(4-7-5-16-6-12-7)10(14)8-2-3-15-9(8)11/h2-3,5-6H,4H2,1H3
InChIKeyQWSFTDRDPAMKTE-UHFFFAOYSA-N
XLogP2.77
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.17
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4,5-dibromo-N-methyl-N-(1,3-thiazol-4-ylmethyl)thiophene-2-carboxamide
CID 47402715
2-bromo-N-methyl-N-(pyridin-4-ylmethyl)furan-3-carboxamide
CID 106852639
2-hydroxy-N,3-dimethyl-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 54990504
3-amino-5-bromo-N,2-dimethyl-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 107872599
N-methyl-4-(methylamino)-N-(1,3-thiazol-4-ylmethyl)pyridine-2-carboxamide
CID 62179582
4-fluoro-2-hydroxy-N-methyl-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 103829866
2-bromo-N-[(3-hydroxyphenyl)methyl]-N-methylfuran-3-carboxamide
CID 106853584
4-hydrazinyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyridine-2-carboxamide
CID 62236807
2-bromo-N-[(3-bromophenyl)methyl]-N-methylfuran-3-carboxamide
CID 106852279
4-amino-N,3-dimethyl-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 55013339
2-bromo-N-(cyanomethyl)-N-methylfuran-3-carboxamide
CID 106852111
2-bromo-N-(3-bromopropyl)-N-methylfuran-3-carboxamide
CID 106441118

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-methyl-N-(1,3-thiazol-4-ylmethyl)furan-3-carboxamide?
The IUPAC name of 2-bromo-N-methyl-N-(1,3-thiazol-4-ylmethyl)furan-3-carboxamide (CID 106853803) is 2-bromo-N-methyl-N-(1,3-thiazol-4-ylmethyl)furan-3-carboxamide.
What is the SMILES notation for 2-bromo-N-methyl-N-(1,3-thiazol-4-ylmethyl)furan-3-carboxamide?
The canonical SMILES for 2-bromo-N-methyl-N-(1,3-thiazol-4-ylmethyl)furan-3-carboxamide is CN(Cc1cscn1)C(=O)c1ccoc1Br.
What is the InChIKey of 2-bromo-N-methyl-N-(1,3-thiazol-4-ylmethyl)furan-3-carboxamide?
The InChIKey is QWSFTDRDPAMKTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2O2S/c1-13(4-7-5-16-6-12-7)10(14)8-2-3-15-9(8)11/h2-3,5-6H,4H2,1H3.
What are the key properties of 2-bromo-N-methyl-N-(1,3-thiazol-4-ylmethyl)furan-3-carboxamide?
2-bromo-N-methyl-N-(1,3-thiazol-4-ylmethyl)furan-3-carboxamide has a molecular weight of 301.17 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-methyl-N-(1,3-thiazol-4-ylmethyl)furan-3-carboxamide is sourced from PubChem (CID 106853803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).