5-bromo-1-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]pyridin-2-one

C11H12BrN3OS — CID 79774454

IUPAC5-bromo-1-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]pyridin-2-one
SMILESCCNc1ncc(Cn2cc(Br)ccc2=O)s1
InChIInChI=1S/C11H12BrN3OS/c1-2-13-11-14-5-9(17-11)7-15-6-8(12)3-4-10(15)16/h3-6H,2,7H2,1H3,(H,13,14)
InChIKeyKKORGSXPBUQWER-UHFFFAOYSA-N
MW314.21 g/mol
LogP2.55
Rot. Bonds4

About 5-bromo-1-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]pyridin-2-one

5-bromo-1-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]pyridin-2-one (PubChem CID 79774454) has the molecular formula C11H12BrN3OS and a molecular weight of 314.21 g/mol. Its IUPAC name is 5-bromo-1-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]pyridin-2-one.

Molecular Properties

Compound Name5-bromo-1-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]pyridin-2-one
PubChem CID79774454
Molecular FormulaC11H12BrN3OS
Molecular Weight314.21 g/mol
Exact Mass312.99
IUPAC Name5-bromo-1-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]pyridin-2-one
SMILESCCNc1ncc(Cn2cc(Br)ccc2=O)s1
InChIInChI=1S/C11H12BrN3OS/c1-2-13-11-14-5-9(17-11)7-15-6-8(12)3-4-10(15)16/h3-6H,2,7H2,1H3,(H,13,14)
InChIKeyKKORGSXPBUQWER-UHFFFAOYSA-N
XLogP2.55
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.21
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]pyridin-2-one?
The IUPAC name of 5-bromo-1-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]pyridin-2-one (CID 79774454) is 5-bromo-1-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]pyridin-2-one.
What is the SMILES notation for 5-bromo-1-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]pyridin-2-one?
The canonical SMILES for 5-bromo-1-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]pyridin-2-one is CCNc1ncc(Cn2cc(Br)ccc2=O)s1.
What is the InChIKey of 5-bromo-1-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]pyridin-2-one?
The InChIKey is KKORGSXPBUQWER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3OS/c1-2-13-11-14-5-9(17-11)7-15-6-8(12)3-4-10(15)16/h3-6H,2,7H2,1H3,(H,13,14).
What are the key properties of 5-bromo-1-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]pyridin-2-one?
5-bromo-1-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]pyridin-2-one has a molecular weight of 314.21 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 5-bromo-1-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]pyridin-2-one is sourced from PubChem (CID 79774454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).