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

C11H10BrN3OS — CID 79729954

IUPACN-(5-bromo-4-methyl-2-pyridinyl)-2-methyl-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)Nc2cc(C)c(Br)cn2)cs1
InChIInChI=1S/C11H10BrN3OS/c1-6-3-10(13-4-8(6)12)15-11(16)9-5-17-7(2)14-9/h3-5H,1-2H3,(H,13,15,16)
InChIKeyLBIPHVAHXOKVLY-UHFFFAOYSA-N
MW312.19 g/mol
LogP3.17
Rot. Bonds2

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

N-(5-bromo-4-methyl-2-pyridinyl)-2-methyl-1,3-thiazole-4-carboxamide (PubChem CID 79729954) has the molecular formula C11H10BrN3OS and a molecular weight of 312.19 g/mol. Its IUPAC name is N-(5-bromo-4-methyl-2-pyridinyl)-2-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-4-methyl-2-pyridinyl)-2-methyl-1,3-thiazole-4-carboxamide
PubChem CID79729954
Molecular FormulaC11H10BrN3OS
Molecular Weight312.19 g/mol
Exact Mass310.97
IUPAC NameN-(5-bromo-4-methyl-2-pyridinyl)-2-methyl-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)Nc2cc(C)c(Br)cn2)cs1
InChIInChI=1S/C11H10BrN3OS/c1-6-3-10(13-4-8(6)12)15-11(16)9-5-17-7(2)14-9/h3-5H,1-2H3,(H,13,15,16)
InChIKeyLBIPHVAHXOKVLY-UHFFFAOYSA-N
XLogP3.17
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.19
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-bromo-4-methyl-2-pyridinyl)-4-chloropyridine-2-carboxamide
CID 79734317
N-(5-bromo-4-methyl-2-pyridinyl)-6-(methylamino)pyridine-2-carboxamide
CID 79730155
3-amino-N-(5-bromo-4-methyl-2-pyridinyl)-1H-1,2,4-triazole-5-carboxamide
CID 79733803
N-(5-bromo-4-methyl-2-pyridinyl)-6-chloropyridazine-3-carboxamide
CID 79733511
N-(5-bromo-4-methyl-2-pyridinyl)-6-(methylamino)pyridazine-3-carboxamide
CID 79729705
N-(5-bromo-4-methyl-2-pyridinyl)-3-chloro-5-methylbenzamide
CID 81323954
3,5-diamino-N-(5-bromo-4-methyl-2-pyridinyl)benzamide
CID 79734210
3-bromo-N-(5-bromo-4-methyl-2-pyridinyl)-4-methylbenzamide
CID 81472094
2-bromo-N-(5-bromo-4-methyl-2-pyridinyl)acetamide
CID 79734217
4-bromo-N-(5-bromo-4-methyl-2-pyridinyl)-3-chlorobenzamide
CID 81294858
N-(5-bromo-4-methyl-2-pyridinyl)-4-chloro-3-methylbenzamide
CID 113397189
N-(5-bromo-4-methyl-2-pyridinyl)-3-ethylthiophene-2-carboxamide
CID 79841640

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-4-methyl-2-pyridinyl)-2-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(5-bromo-4-methyl-2-pyridinyl)-2-methyl-1,3-thiazole-4-carboxamide (CID 79729954) is N-(5-bromo-4-methyl-2-pyridinyl)-2-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(5-bromo-4-methyl-2-pyridinyl)-2-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(5-bromo-4-methyl-2-pyridinyl)-2-methyl-1,3-thiazole-4-carboxamide is Cc1nc(C(=O)Nc2cc(C)c(Br)cn2)cs1.
What is the InChIKey of N-(5-bromo-4-methyl-2-pyridinyl)-2-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is LBIPHVAHXOKVLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN3OS/c1-6-3-10(13-4-8(6)12)15-11(16)9-5-17-7(2)14-9/h3-5H,1-2H3,(H,13,15,16).
What are the key properties of N-(5-bromo-4-methyl-2-pyridinyl)-2-methyl-1,3-thiazole-4-carboxamide?
N-(5-bromo-4-methyl-2-pyridinyl)-2-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 312.19 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-4-methyl-2-pyridinyl)-2-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 79729954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).