3-amino-5-bromo-1-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridin-4-one

C10H10BrN3OS — CID 103962008

IUPAC3-amino-5-bromo-1-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridin-4-one
SMILESCc1csc(Cn2cc(N)c(=O)c(Br)c2)n1
InChIInChI=1S/C10H10BrN3OS/c1-6-5-16-9(13-6)4-14-2-7(11)10(15)8(12)3-14/h2-3,5H,4,12H2,1H3
InChIKeyPJANXZLAKCJURR-UHFFFAOYSA-N
MW300.18 g/mol
LogP2.01
Rot. Bonds2

About 3-amino-5-bromo-1-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridin-4-one

3-amino-5-bromo-1-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridin-4-one (PubChem CID 103962008) has the molecular formula C10H10BrN3OS and a molecular weight of 300.18 g/mol. Its IUPAC name is 3-amino-5-bromo-1-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridin-4-one.

Molecular Properties

Compound Name3-amino-5-bromo-1-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridin-4-one
PubChem CID103962008
Molecular FormulaC10H10BrN3OS
Molecular Weight300.18 g/mol
Exact Mass298.97
IUPAC Name3-amino-5-bromo-1-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridin-4-one
SMILESCc1csc(Cn2cc(N)c(=O)c(Br)c2)n1
InChIInChI=1S/C10H10BrN3OS/c1-6-5-16-9(13-6)4-14-2-7(11)10(15)8(12)3-14/h2-3,5H,4,12H2,1H3
InChIKeyPJANXZLAKCJURR-UHFFFAOYSA-N
XLogP2.01
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.18
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-bromo-1-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridin-4-one?
The IUPAC name of 3-amino-5-bromo-1-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridin-4-one (CID 103962008) is 3-amino-5-bromo-1-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridin-4-one.
What is the SMILES notation for 3-amino-5-bromo-1-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridin-4-one?
The canonical SMILES for 3-amino-5-bromo-1-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridin-4-one is Cc1csc(Cn2cc(N)c(=O)c(Br)c2)n1.
What is the InChIKey of 3-amino-5-bromo-1-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridin-4-one?
The InChIKey is PJANXZLAKCJURR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3OS/c1-6-5-16-9(13-6)4-14-2-7(11)10(15)8(12)3-14/h2-3,5H,4,12H2,1H3.
What are the key properties of 3-amino-5-bromo-1-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridin-4-one?
3-amino-5-bromo-1-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridin-4-one has a molecular weight of 300.18 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-bromo-1-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridin-4-one is sourced from PubChem (CID 103962008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).