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

C10H9BrN2O2S — CID 110746432

IUPAC5-bromo-N-[(5-methyl-1,3-thiazol-2-yl)methyl]furan-2-carboxamide
SMILESCc1cnc(CNC(=O)c2ccc(Br)o2)s1
InChIInChI=1S/C10H9BrN2O2S/c1-6-4-12-9(16-6)5-13-10(14)7-2-3-8(11)15-7/h2-4H,5H2,1H3,(H,13,14)
InChIKeyQVCLMLRBQLZGNR-UHFFFAOYSA-N
MW301.17 g/mol
LogP2.74
Rot. Bonds3

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

5-bromo-N-[(5-methyl-1,3-thiazol-2-yl)methyl]furan-2-carboxamide (PubChem CID 110746432) has the molecular formula C10H9BrN2O2S and a molecular weight of 301.17 g/mol. Its IUPAC name is 5-bromo-N-[(5-methyl-1,3-thiazol-2-yl)methyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[(5-methyl-1,3-thiazol-2-yl)methyl]furan-2-carboxamide
PubChem CID110746432
Molecular FormulaC10H9BrN2O2S
Molecular Weight301.17 g/mol
Exact Mass299.96
IUPAC Name5-bromo-N-[(5-methyl-1,3-thiazol-2-yl)methyl]furan-2-carboxamide
SMILESCc1cnc(CNC(=O)c2ccc(Br)o2)s1
InChIInChI=1S/C10H9BrN2O2S/c1-6-4-12-9(16-6)5-13-10(14)7-2-3-8(11)15-7/h2-4H,5H2,1H3,(H,13,14)
InChIKeyQVCLMLRBQLZGNR-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

5-bromo-N-[(4-methyl-1,3-thiazol-2-yl)methyl]furan-2-carboxamide
CID 30176535
(5-methyl-1,3-thiazol-2-yl)methylurea
CID 103708250
4-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]benzamide
CID 110738921
5-bromo-N-[(5-methyl-1,2-oxazol-3-yl)methyl]furan-2-carboxamide
CID 47398777
4-bromo-3-hydroxy-N-[(5-methyl-1,3-thiazol-2-yl)methyl]benzamide
CID 103873486
N-[(5-methyl-1,3-thiazol-2-yl)methyl]pyrazine-2-carboxamide
CID 110746419
N-[(5-methyl-1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide
CID 110746418
5-bromo-N-(pyridin-3-ylmethyl)furan-2-carboxamide
CID 750404
5-bromo-N-[(2-methylphenyl)methyl]furan-2-carboxamide
CID 27839121
5-bromo-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]furan-2-carboxamide
CID 103883547
5-bromo-N-[(1-methylpyrazol-4-yl)methyl]furan-2-carboxamide
CID 39891817
3-(4-methylphenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]propanamide
CID 110738979

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(5-methyl-1,3-thiazol-2-yl)methyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[(5-methyl-1,3-thiazol-2-yl)methyl]furan-2-carboxamide (CID 110746432) is 5-bromo-N-[(5-methyl-1,3-thiazol-2-yl)methyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[(5-methyl-1,3-thiazol-2-yl)methyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[(5-methyl-1,3-thiazol-2-yl)methyl]furan-2-carboxamide is Cc1cnc(CNC(=O)c2ccc(Br)o2)s1.
What is the InChIKey of 5-bromo-N-[(5-methyl-1,3-thiazol-2-yl)methyl]furan-2-carboxamide?
The InChIKey is QVCLMLRBQLZGNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2O2S/c1-6-4-12-9(16-6)5-13-10(14)7-2-3-8(11)15-7/h2-4H,5H2,1H3,(H,13,14).
What are the key properties of 5-bromo-N-[(5-methyl-1,3-thiazol-2-yl)methyl]furan-2-carboxamide?
5-bromo-N-[(5-methyl-1,3-thiazol-2-yl)methyl]furan-2-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 5-bromo-N-[(5-methyl-1,3-thiazol-2-yl)methyl]furan-2-carboxamide is sourced from PubChem (CID 110746432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).