2-bromo-N-[(5-methoxy-3-pyridinyl)methyl]-5-methyl-1,3-thiazole-4-carboxamide

C12H12BrN3O2S — CID 171677233

IUPAC2-bromo-N-[(5-methoxy-3-pyridinyl)methyl]-5-methyl-1,3-thiazole-4-carboxamide
SMILESCOc1cncc(CNC(=O)c2nc(Br)sc2C)c1
InChIInChI=1S/C12H12BrN3O2S/c1-7-10(16-12(13)19-7)11(17)15-5-8-3-9(18-2)6-14-4-8/h3-4,6H,5H2,1-2H3,(H,15,17)
InChIKeyDTJPNOCWADTVEE-UHFFFAOYSA-N
MW342.22 g/mol
LogP2.55
Rot. Bonds4

About 2-bromo-N-[(5-methoxy-3-pyridinyl)methyl]-5-methyl-1,3-thiazole-4-carboxamide

2-bromo-N-[(5-methoxy-3-pyridinyl)methyl]-5-methyl-1,3-thiazole-4-carboxamide (PubChem CID 171677233) has the molecular formula C12H12BrN3O2S and a molecular weight of 342.22 g/mol. Its IUPAC name is 2-bromo-N-[(5-methoxy-3-pyridinyl)methyl]-5-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-bromo-N-[(5-methoxy-3-pyridinyl)methyl]-5-methyl-1,3-thiazole-4-carboxamide
PubChem CID171677233
Molecular FormulaC12H12BrN3O2S
Molecular Weight342.22 g/mol
Exact Mass340.98
IUPAC Name2-bromo-N-[(5-methoxy-3-pyridinyl)methyl]-5-methyl-1,3-thiazole-4-carboxamide
SMILESCOc1cncc(CNC(=O)c2nc(Br)sc2C)c1
InChIInChI=1S/C12H12BrN3O2S/c1-7-10(16-12(13)19-7)11(17)15-5-8-3-9(18-2)6-14-4-8/h3-4,6H,5H2,1-2H3,(H,15,17)
InChIKeyDTJPNOCWADTVEE-UHFFFAOYSA-N
XLogP2.55
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.22
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-methoxyphenyl)methyl]-2,5-dimethyl-1,3-thiazole-4-carboxamide
CID 110465620
N-[(5-methoxy-3-pyridinyl)methyl]-2-methylpropanamide;molecular hydrogen
CID 171523322
3-(2-methoxyethoxy)-N-[(5-methoxy-3-pyridinyl)methyl]benzamide
CID 126826403
N-[(5-methoxy-3-pyridinyl)methyl]-3-pyridin-4-ylpropanamide
CID 126829062
6-(difluoromethoxy)-5-fluoro-N-[(5-methoxy-3-pyridinyl)methyl]pyridine-3-carboxamide
CID 166012081
(2R)-2-amino-3-(5-methoxy-3-pyridinyl)propanoic acid
CID 55268885
(5S,7R)-N-[(5-methoxy-3-pyridinyl)methyl]-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
CID 146111360
N-[[4-[(5-methoxy-3-pyridinyl)sulfonyl]phenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide
CID 90012224
ethyl 2-[(5-methoxy-3-pyridinyl)methylamino]thieno[3,2-d]pyrimidine-4-carboxylate
CID 150215711
4-(5-methoxy-3-pyridinyl)butan-2-one
CID 69229885
N-benzyl-2,5-dimethyl-1,3-thiazole-4-carboxamide
CID 110465518
5-amino-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 110851643

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(5-methoxy-3-pyridinyl)methyl]-5-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-bromo-N-[(5-methoxy-3-pyridinyl)methyl]-5-methyl-1,3-thiazole-4-carboxamide (CID 171677233) is 2-bromo-N-[(5-methoxy-3-pyridinyl)methyl]-5-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-bromo-N-[(5-methoxy-3-pyridinyl)methyl]-5-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-bromo-N-[(5-methoxy-3-pyridinyl)methyl]-5-methyl-1,3-thiazole-4-carboxamide is COc1cncc(CNC(=O)c2nc(Br)sc2C)c1.
What is the InChIKey of 2-bromo-N-[(5-methoxy-3-pyridinyl)methyl]-5-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is DTJPNOCWADTVEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3O2S/c1-7-10(16-12(13)19-7)11(17)15-5-8-3-9(18-2)6-14-4-8/h3-4,6H,5H2,1-2H3,(H,15,17).
What are the key properties of 2-bromo-N-[(5-methoxy-3-pyridinyl)methyl]-5-methyl-1,3-thiazole-4-carboxamide?
2-bromo-N-[(5-methoxy-3-pyridinyl)methyl]-5-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 342.22 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(5-methoxy-3-pyridinyl)methyl]-5-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 171677233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).