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

C12H12BrN3OS — CID 113245137

IUPAC5-bromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide
SMILESCCc1cnc(CNC(=O)c2ccc(Br)cn2)s1
InChIInChI=1S/C12H12BrN3OS/c1-2-9-6-15-11(18-9)7-16-12(17)10-4-3-8(13)5-14-10/h3-6H,2,7H2,1H3,(H,16,17)
InChIKeyDWIYKUZBXSNHEA-UHFFFAOYSA-N
MW326.22 g/mol
LogP2.79
Rot. Bonds4

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

5-bromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide (PubChem CID 113245137) has the molecular formula C12H12BrN3OS and a molecular weight of 326.22 g/mol. Its IUPAC name is 5-bromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide
PubChem CID113245137
Molecular FormulaC12H12BrN3OS
Molecular Weight326.22 g/mol
Exact Mass324.99
IUPAC Name5-bromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide
SMILESCCc1cnc(CNC(=O)c2ccc(Br)cn2)s1
InChIInChI=1S/C12H12BrN3OS/c1-2-9-6-15-11(18-9)7-16-12(17)10-4-3-8(13)5-14-10/h3-6H,2,7H2,1H3,(H,16,17)
InChIKeyDWIYKUZBXSNHEA-UHFFFAOYSA-N
XLogP2.79
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.22
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(5-ethyl-1,3-thiazol-2-yl)methylcarbamoyl]pyrazine-2-carboxylic acid
CID 120685818
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 103709190
4-bromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1H-pyrrole-2-carboxamide
CID 103709203
2-bromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]benzamide
CID 103709233
5-bromo-N-[(5-chlorothiophen-2-yl)methyl]pyridine-2-carboxamide
CID 62998517
2,5-dibromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]thiophene-3-carboxamide
CID 103709212
3,6-dichloro-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide
CID 103709249
3-bromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-methylbenzamide
CID 113245129
5-bromo-N-[(5-methylpyrazin-2-yl)methyl]pyridine-2-carboxamide
CID 62954782
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-6-fluoropyridine-3-carboxamide
CID 103718321
2-bromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-5-methoxybenzamide
CID 103709214
3-bromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]propanamide
CID 82110235

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide?
The IUPAC name of 5-bromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide (CID 113245137) is 5-bromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 5-bromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide is CCc1cnc(CNC(=O)c2ccc(Br)cn2)s1.
What is the InChIKey of 5-bromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide?
The InChIKey is DWIYKUZBXSNHEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3OS/c1-2-9-6-15-11(18-9)7-16-12(17)10-4-3-8(13)5-14-10/h3-6H,2,7H2,1H3,(H,16,17).
What are the key properties of 5-bromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide?
5-bromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide has a molecular weight of 326.22 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 113245137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).