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

C11H10N4OS — CID 23885410

IUPAC2-[(3-methylimidazo[4,5-b]pyridin-2-yl)methyl]-1,3-thiazol-4-one
SMILESCn1c(CC2=NC(=O)CS2)nc2cccnc21
InChIInChI=1S/C11H10N4OS/c1-15-8(5-10-14-9(16)6-17-10)13-7-3-2-4-12-11(7)15/h2-4H,5-6H2,1H3
InChIKeyDSTZERIADKCUOI-UHFFFAOYSA-N
MW246.29 g/mol
LogP1.18
Rot. Bonds2

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

2-[(3-methylimidazo[4,5-b]pyridin-2-yl)methyl]-1,3-thiazol-4-one (PubChem CID 23885410) has the molecular formula C11H10N4OS and a molecular weight of 246.29 g/mol. Its IUPAC name is 2-[(3-methylimidazo[4,5-b]pyridin-2-yl)methyl]-1,3-thiazol-4-one.

Molecular Properties

Compound Name2-[(3-methylimidazo[4,5-b]pyridin-2-yl)methyl]-1,3-thiazol-4-one
PubChem CID23885410
Molecular FormulaC11H10N4OS
Molecular Weight246.29 g/mol
Exact Mass246.06
IUPAC Name2-[(3-methylimidazo[4,5-b]pyridin-2-yl)methyl]-1,3-thiazol-4-one
SMILESCn1c(CC2=NC(=O)CS2)nc2cccnc21
InChIInChI=1S/C11H10N4OS/c1-15-8(5-10-14-9(16)6-17-10)13-7-3-2-4-12-11(7)15/h2-4H,5-6H2,1H3
InChIKeyDSTZERIADKCUOI-UHFFFAOYSA-N
XLogP1.18
TPSA60.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.29
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(fluoromethyl)-3-methylimidazo[4,5-b]pyridine
CID 141030581
4-[(3-methylimidazo[4,5-b]pyridin-2-yl)methyl]benzoic acid
CID 117166768
2-(4-chlorobutyl)-3-methylimidazo[4,5-b]pyridine
CID 63757289
N-[2-(3-methylimidazo[4,5-b]pyridin-2-yl)ethyl]propan-2-amine
CID 63756762
3-methyl-2-[(1-propan-2-ylpiperidin-4-yl)methyl]imidazo[4,5-b]pyridine
CID 117161667
N-[(3-methylimidazo[4,5-b]pyridin-2-yl)methyl]cyclopentanamine
CID 63756238
N-[2-(3-methylimidazo[4,5-b]pyridin-2-yl)ethyl]cyclopropanamine
CID 63756601
5-(3-methylimidazo[4,5-b]pyridin-2-yl)pentanoic acid
CID 63757796
2,4-dimethylpyrido[2,3-b]pyrazin-3-one;ethane
CID 90706892
4-[2-(3-methylimidazo[4,5-b]pyridin-2-yl)ethyl]benzoic acid
CID 117166780
2-methoxy-4-methylpyrido[2,3-b]pyrazin-3-one
CID 90362861
4-methyl-3-oxopyrido[2,3-b]pyrazine-2-carbaldehyde
CID 86730915

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methylimidazo[4,5-b]pyridin-2-yl)methyl]-1,3-thiazol-4-one?
The IUPAC name of 2-[(3-methylimidazo[4,5-b]pyridin-2-yl)methyl]-1,3-thiazol-4-one (CID 23885410) is 2-[(3-methylimidazo[4,5-b]pyridin-2-yl)methyl]-1,3-thiazol-4-one.
What is the SMILES notation for 2-[(3-methylimidazo[4,5-b]pyridin-2-yl)methyl]-1,3-thiazol-4-one?
The canonical SMILES for 2-[(3-methylimidazo[4,5-b]pyridin-2-yl)methyl]-1,3-thiazol-4-one is Cn1c(CC2=NC(=O)CS2)nc2cccnc21.
What is the InChIKey of 2-[(3-methylimidazo[4,5-b]pyridin-2-yl)methyl]-1,3-thiazol-4-one?
The InChIKey is DSTZERIADKCUOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4OS/c1-15-8(5-10-14-9(16)6-17-10)13-7-3-2-4-12-11(7)15/h2-4H,5-6H2,1H3.
What are the key properties of 2-[(3-methylimidazo[4,5-b]pyridin-2-yl)methyl]-1,3-thiazol-4-one?
2-[(3-methylimidazo[4,5-b]pyridin-2-yl)methyl]-1,3-thiazol-4-one has a molecular weight of 246.29 g/mol, XLogP of 1.18, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methylimidazo[4,5-b]pyridin-2-yl)methyl]-1,3-thiazol-4-one is sourced from PubChem (CID 23885410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).