6-bromo-3-methyl-1-(thiadiazol-4-ylmethyl)imidazo[4,5-b]pyridin-2-one

C10H8BrN5OS — CID 134489920

IUPAC6-bromo-3-methyl-1-(thiadiazol-4-ylmethyl)imidazo[4,5-b]pyridin-2-one
SMILESCn1c(=O)n(Cc2csnn2)c2cc(Br)cnc21
InChIInChI=1S/C10H8BrN5OS/c1-15-9-8(2-6(11)3-12-9)16(10(15)17)4-7-5-18-14-13-7/h2-3,5H,4H2,1H3
InChIKeyPRXYUUKTOVTWRE-UHFFFAOYSA-N
MW326.18 g/mol
LogP1.40
Rot. Bonds2

About 6-bromo-3-methyl-1-(thiadiazol-4-ylmethyl)imidazo[4,5-b]pyridin-2-one

6-bromo-3-methyl-1-(thiadiazol-4-ylmethyl)imidazo[4,5-b]pyridin-2-one (PubChem CID 134489920) has the molecular formula C10H8BrN5OS and a molecular weight of 326.18 g/mol. Its IUPAC name is 6-bromo-3-methyl-1-(thiadiazol-4-ylmethyl)imidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name6-bromo-3-methyl-1-(thiadiazol-4-ylmethyl)imidazo[4,5-b]pyridin-2-one
PubChem CID134489920
Molecular FormulaC10H8BrN5OS
Molecular Weight326.18 g/mol
Exact Mass324.96
IUPAC Name6-bromo-3-methyl-1-(thiadiazol-4-ylmethyl)imidazo[4,5-b]pyridin-2-one
SMILESCn1c(=O)n(Cc2csnn2)c2cc(Br)cnc21
InChIInChI=1S/C10H8BrN5OS/c1-15-9-8(2-6(11)3-12-9)16(10(15)17)4-7-5-18-14-13-7/h2-3,5H,4H2,1H3
InChIKeyPRXYUUKTOVTWRE-UHFFFAOYSA-N
XLogP1.40
TPSA65.60 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.18
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-methyl-1-(thiadiazol-4-ylmethyl)imidazo[4,5-b]pyridin-2-one?
The IUPAC name of 6-bromo-3-methyl-1-(thiadiazol-4-ylmethyl)imidazo[4,5-b]pyridin-2-one (CID 134489920) is 6-bromo-3-methyl-1-(thiadiazol-4-ylmethyl)imidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 6-bromo-3-methyl-1-(thiadiazol-4-ylmethyl)imidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 6-bromo-3-methyl-1-(thiadiazol-4-ylmethyl)imidazo[4,5-b]pyridin-2-one is Cn1c(=O)n(Cc2csnn2)c2cc(Br)cnc21.
What is the InChIKey of 6-bromo-3-methyl-1-(thiadiazol-4-ylmethyl)imidazo[4,5-b]pyridin-2-one?
The InChIKey is PRXYUUKTOVTWRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrN5OS/c1-15-9-8(2-6(11)3-12-9)16(10(15)17)4-7-5-18-14-13-7/h2-3,5H,4H2,1H3.
What are the key properties of 6-bromo-3-methyl-1-(thiadiazol-4-ylmethyl)imidazo[4,5-b]pyridin-2-one?
6-bromo-3-methyl-1-(thiadiazol-4-ylmethyl)imidazo[4,5-b]pyridin-2-one has a molecular weight of 326.18 g/mol, XLogP of 1.40, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-methyl-1-(thiadiazol-4-ylmethyl)imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 134489920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).