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

C10H9BrN2O2S — CID 30176535

IUPAC5-bromo-N-[(4-methyl-1,3-thiazol-2-yl)methyl]furan-2-carboxamide
SMILESCc1csc(CNC(=O)c2ccc(Br)o2)n1
InChIInChI=1S/C10H9BrN2O2S/c1-6-5-16-9(13-6)4-12-10(14)7-2-3-8(11)15-7/h2-3,5H,4H2,1H3,(H,12,14)
InChIKeyXTWFKPJKIYEJMM-UHFFFAOYSA-N
MW301.17 g/mol
LogP2.74
Rot. Bonds3

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

5-bromo-N-[(4-methyl-1,3-thiazol-2-yl)methyl]furan-2-carboxamide (PubChem CID 30176535) has the molecular formula C10H9BrN2O2S and a molecular weight of 301.17 g/mol. Its IUPAC name is 5-bromo-N-[(4-methyl-1,3-thiazol-2-yl)methyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[(4-methyl-1,3-thiazol-2-yl)methyl]furan-2-carboxamide
PubChem CID30176535
Molecular FormulaC10H9BrN2O2S
Molecular Weight301.17 g/mol
Exact Mass299.96
IUPAC Name5-bromo-N-[(4-methyl-1,3-thiazol-2-yl)methyl]furan-2-carboxamide
SMILESCc1csc(CNC(=O)c2ccc(Br)o2)n1
InChIInChI=1S/C10H9BrN2O2S/c1-6-5-16-9(13-6)4-12-10(14)7-2-3-8(11)15-7/h2-3,5H,4H2,1H3,(H,12,14)
InChIKeyXTWFKPJKIYEJMM-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-[(5-methyl-1,3-thiazol-2-yl)methyl]furan-2-carboxamide
CID 110746432
4-hydroxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide
CID 60709490
2-(4-chlorophenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide
CID 51315954
5-bromo-N-[(5-methyl-1,2-oxazol-3-yl)methyl]furan-2-carboxamide
CID 47398777
5-bromo-N-[(2-methyl-1,3-benzoxazol-5-yl)methyl]furan-2-carboxamide
CID 110794899
4,5-dibromo-N-[(4-methyl-1,3-thiazol-2-yl)methyl]thiophene-2-carboxamide
CID 51291417
2-bromo-5-iodo-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide
CID 113362963
5-[(4-methyl-1,3-thiazol-2-yl)methylcarbamoyl]thiophene-2-carboxylic acid
CID 60722044
N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazine-2-carboxamide
CID 43040329
5-bromo-N-[(2-methylphenyl)methyl]furan-2-carboxamide
CID 27839121
3-(3-fluorophenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2-oxazole-5-carboxamide
CID 51081125
methyl N-[(4-methyl-1,3-thiazol-2-yl)methyl]carbamate
CID 110739075

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(4-methyl-1,3-thiazol-2-yl)methyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[(4-methyl-1,3-thiazol-2-yl)methyl]furan-2-carboxamide (CID 30176535) is 5-bromo-N-[(4-methyl-1,3-thiazol-2-yl)methyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[(4-methyl-1,3-thiazol-2-yl)methyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[(4-methyl-1,3-thiazol-2-yl)methyl]furan-2-carboxamide is Cc1csc(CNC(=O)c2ccc(Br)o2)n1.
What is the InChIKey of 5-bromo-N-[(4-methyl-1,3-thiazol-2-yl)methyl]furan-2-carboxamide?
The InChIKey is XTWFKPJKIYEJMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2O2S/c1-6-5-16-9(13-6)4-12-10(14)7-2-3-8(11)15-7/h2-3,5H,4H2,1H3,(H,12,14).
What are the key properties of 5-bromo-N-[(4-methyl-1,3-thiazol-2-yl)methyl]furan-2-carboxamide?
5-bromo-N-[(4-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-[(4-methyl-1,3-thiazol-2-yl)methyl]furan-2-carboxamide is sourced from PubChem (CID 30176535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).