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

C10H9BrN4OS — CID 114222286

IUPAC2-amino-N-(5-bromo-3-pyridinyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(N)sc1C(=O)Nc1cncc(Br)c1
InChIInChI=1S/C10H9BrN4OS/c1-5-8(17-10(12)14-5)9(16)15-7-2-6(11)3-13-4-7/h2-4H,1H3,(H2,12,14)(H,15,16)
InChIKeyPYKUJJIYKQAOKQ-UHFFFAOYSA-N
MW313.18 g/mol
LogP2.44
Rot. Bonds2

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

2-amino-N-(5-bromo-3-pyridinyl)-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 114222286) has the molecular formula C10H9BrN4OS and a molecular weight of 313.18 g/mol. Its IUPAC name is 2-amino-N-(5-bromo-3-pyridinyl)-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-amino-N-(5-bromo-3-pyridinyl)-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID114222286
Molecular FormulaC10H9BrN4OS
Molecular Weight313.18 g/mol
Exact Mass311.97
IUPAC Name2-amino-N-(5-bromo-3-pyridinyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(N)sc1C(=O)Nc1cncc(Br)c1
InChIInChI=1S/C10H9BrN4OS/c1-5-8(17-10(12)14-5)9(16)15-7-2-6(11)3-13-4-7/h2-4H,1H3,(H2,12,14)(H,15,16)
InChIKeyPYKUJJIYKQAOKQ-UHFFFAOYSA-N
XLogP2.44
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.18
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(5-bromo-3-pyridinyl)-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-amino-N-(5-bromo-3-pyridinyl)-4-methyl-1,3-thiazole-5-carboxamide (CID 114222286) is 2-amino-N-(5-bromo-3-pyridinyl)-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-amino-N-(5-bromo-3-pyridinyl)-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-amino-N-(5-bromo-3-pyridinyl)-4-methyl-1,3-thiazole-5-carboxamide is Cc1nc(N)sc1C(=O)Nc1cncc(Br)c1.
What is the InChIKey of 2-amino-N-(5-bromo-3-pyridinyl)-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is PYKUJJIYKQAOKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN4OS/c1-5-8(17-10(12)14-5)9(16)15-7-2-6(11)3-13-4-7/h2-4H,1H3,(H2,12,14)(H,15,16).
What are the key properties of 2-amino-N-(5-bromo-3-pyridinyl)-4-methyl-1,3-thiazole-5-carboxamide?
2-amino-N-(5-bromo-3-pyridinyl)-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 313.18 g/mol, XLogP of 2.44, 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-pyridinyl)-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 114222286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).