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

C11H11BrN4OS — CID 66374394

IUPAC2-(1-aminoethyl)-N-(5-bromo-2-pyridinyl)-1,3-thiazole-4-carboxamide
SMILESCC(N)c1nc(C(=O)Nc2ccc(Br)cn2)cs1
InChIInChI=1S/C11H11BrN4OS/c1-6(13)11-15-8(5-18-11)10(17)16-9-3-2-7(12)4-14-9/h2-6H,13H2,1H3,(H,14,16,17)
InChIKeyHWNMMKSYXLXVQZ-UHFFFAOYSA-N
MW327.21 g/mol
LogP2.57
Rot. Bonds3

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

2-(1-aminoethyl)-N-(5-bromo-2-pyridinyl)-1,3-thiazole-4-carboxamide (PubChem CID 66374394) has the molecular formula C11H11BrN4OS and a molecular weight of 327.21 g/mol. Its IUPAC name is 2-(1-aminoethyl)-N-(5-bromo-2-pyridinyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(1-aminoethyl)-N-(5-bromo-2-pyridinyl)-1,3-thiazole-4-carboxamide
PubChem CID66374394
Molecular FormulaC11H11BrN4OS
Molecular Weight327.21 g/mol
Exact Mass325.98
IUPAC Name2-(1-aminoethyl)-N-(5-bromo-2-pyridinyl)-1,3-thiazole-4-carboxamide
SMILESCC(N)c1nc(C(=O)Nc2ccc(Br)cn2)cs1
InChIInChI=1S/C11H11BrN4OS/c1-6(13)11-15-8(5-18-11)10(17)16-9-3-2-7(12)4-14-9/h2-6H,13H2,1H3,(H,14,16,17)
InChIKeyHWNMMKSYXLXVQZ-UHFFFAOYSA-N
XLogP2.57
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.21
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-aminoethyl)-N-(5-bromo-2-pyridinyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(1-aminoethyl)-N-(5-bromo-2-pyridinyl)-1,3-thiazole-4-carboxamide (CID 66374394) is 2-(1-aminoethyl)-N-(5-bromo-2-pyridinyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(1-aminoethyl)-N-(5-bromo-2-pyridinyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(1-aminoethyl)-N-(5-bromo-2-pyridinyl)-1,3-thiazole-4-carboxamide is CC(N)c1nc(C(=O)Nc2ccc(Br)cn2)cs1.
What is the InChIKey of 2-(1-aminoethyl)-N-(5-bromo-2-pyridinyl)-1,3-thiazole-4-carboxamide?
The InChIKey is HWNMMKSYXLXVQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN4OS/c1-6(13)11-15-8(5-18-11)10(17)16-9-3-2-7(12)4-14-9/h2-6H,13H2,1H3,(H,14,16,17).
What are the key properties of 2-(1-aminoethyl)-N-(5-bromo-2-pyridinyl)-1,3-thiazole-4-carboxamide?
2-(1-aminoethyl)-N-(5-bromo-2-pyridinyl)-1,3-thiazole-4-carboxamide has a molecular weight of 327.21 g/mol, XLogP of 2.57, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminoethyl)-N-(5-bromo-2-pyridinyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 66374394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).