2-amino-N-(5-bromo-3-methyl-2-pyridinyl)-4-methyl-1,3-thiazole-5-carboxamide

C11H11BrN4OS — CID 83167163

IUPAC2-amino-N-(5-bromo-3-methyl-2-pyridinyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1cc(Br)cnc1NC(=O)c1sc(N)nc1C
InChIInChI=1S/C11H11BrN4OS/c1-5-3-7(12)4-14-9(5)16-10(17)8-6(2)15-11(13)18-8/h3-4H,1-2H3,(H2,13,15)(H,14,16,17)
InChIKeyUMEXVUFBBNYSPR-UHFFFAOYSA-N
MW327.21 g/mol
LogP2.75
Rot. Bonds2

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

2-amino-N-(5-bromo-3-methyl-2-pyridinyl)-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 83167163) has the molecular formula C11H11BrN4OS and a molecular weight of 327.21 g/mol. Its IUPAC name is 2-amino-N-(5-bromo-3-methyl-2-pyridinyl)-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-amino-N-(5-bromo-3-methyl-2-pyridinyl)-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID83167163
Molecular FormulaC11H11BrN4OS
Molecular Weight327.21 g/mol
Exact Mass325.98
IUPAC Name2-amino-N-(5-bromo-3-methyl-2-pyridinyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1cc(Br)cnc1NC(=O)c1sc(N)nc1C
InChIInChI=1S/C11H11BrN4OS/c1-5-3-7(12)4-14-9(5)16-10(17)8-6(2)15-11(13)18-8/h3-4H,1-2H3,(H2,13,15)(H,14,16,17)
InChIKeyUMEXVUFBBNYSPR-UHFFFAOYSA-N
XLogP2.75
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.21
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-(5-bromo-3-pyridinyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 114222286
5-amino-N-(5-bromo-3-methyl-2-pyridinyl)-1-benzothiophene-2-carboxamide
CID 83165753
5-bromo-N-(5-bromo-3-methyl-2-pyridinyl)-2-hydrazinylpyridine-3-carboxamide
CID 83170019
2-amino-N-(5-bromo-3-methyl-2-pyridinyl)-5-methoxybenzamide
CID 83166414
N-(5-bromo-3-methyl-2-pyridinyl)-3,6-dimethylpyridazine-4-carboxamide
CID 104670589
2-amino-N-(3-fluoro-5-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 79049476
2-amino-4-methyl-N-(5-methyl-1H-pyrazol-3-yl)-1,3-thiazole-5-carboxamide
CID 63822437
N-(5-bromo-3-methyl-2-pyridinyl)-4-hydrazinyl-3-methylbenzamide
CID 83171125
2-amino-N,4-dimethyl-1,3-thiazole-5-carboxamide
CID 45058673
2-amino-4-methyl-N-(4-methyl-3-pyridinyl)-1,3-thiazole-5-carboxamide
CID 63327533
2-(aminomethyl)-N-(5-bromo-3-methyl-2-pyridinyl)pyridine-4-carboxamide
CID 83167261
2-amino-N-(5-bromo-2-cyanophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 107798285

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(5-bromo-3-methyl-2-pyridinyl)-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-amino-N-(5-bromo-3-methyl-2-pyridinyl)-4-methyl-1,3-thiazole-5-carboxamide (CID 83167163) is 2-amino-N-(5-bromo-3-methyl-2-pyridinyl)-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-amino-N-(5-bromo-3-methyl-2-pyridinyl)-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-amino-N-(5-bromo-3-methyl-2-pyridinyl)-4-methyl-1,3-thiazole-5-carboxamide is Cc1cc(Br)cnc1NC(=O)c1sc(N)nc1C.
What is the InChIKey of 2-amino-N-(5-bromo-3-methyl-2-pyridinyl)-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is UMEXVUFBBNYSPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN4OS/c1-5-3-7(12)4-14-9(5)16-10(17)8-6(2)15-11(13)18-8/h3-4H,1-2H3,(H2,13,15)(H,14,16,17).
What are the key properties of 2-amino-N-(5-bromo-3-methyl-2-pyridinyl)-4-methyl-1,3-thiazole-5-carboxamide?
2-amino-N-(5-bromo-3-methyl-2-pyridinyl)-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 327.21 g/mol, XLogP of 2.75, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(5-bromo-3-methyl-2-pyridinyl)-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 83167163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).