2-[(1-propan-2-ylimidazo[4,5-c]pyridin-2-yl)methylsulfanyl]acetic acid

C12H15N3O2S — CID 113427895

IUPAC2-[(1-propan-2-ylimidazo[4,5-c]pyridin-2-yl)methylsulfanyl]acetic acid
SMILESCC(C)n1c(CSCC(=O)O)nc2cnccc21
InChIInChI=1S/C12H15N3O2S/c1-8(2)15-10-3-4-13-5-9(10)14-11(15)6-18-7-12(16)17/h3-5,8H,6-7H2,1-2H3,(H,16,17)
InChIKeyQZKBNHFWFOWXOY-UHFFFAOYSA-N
MW265.34 g/mol
LogP2.33
Rot. Bonds5

About 2-[(1-propan-2-ylimidazo[4,5-c]pyridin-2-yl)methylsulfanyl]acetic acid

2-[(1-propan-2-ylimidazo[4,5-c]pyridin-2-yl)methylsulfanyl]acetic acid (PubChem CID 113427895) has the molecular formula C12H15N3O2S and a molecular weight of 265.34 g/mol. Its IUPAC name is 2-[(1-propan-2-ylimidazo[4,5-c]pyridin-2-yl)methylsulfanyl]acetic acid.

Molecular Properties

Compound Name2-[(1-propan-2-ylimidazo[4,5-c]pyridin-2-yl)methylsulfanyl]acetic acid
PubChem CID113427895
Molecular FormulaC12H15N3O2S
Molecular Weight265.34 g/mol
Exact Mass265.09
IUPAC Name2-[(1-propan-2-ylimidazo[4,5-c]pyridin-2-yl)methylsulfanyl]acetic acid
SMILESCC(C)n1c(CSCC(=O)O)nc2cnccc21
InChIInChI=1S/C12H15N3O2S/c1-8(2)15-10-3-4-13-5-9(10)14-11(15)6-18-7-12(16)17/h3-5,8H,6-7H2,1-2H3,(H,16,17)
InChIKeyQZKBNHFWFOWXOY-UHFFFAOYSA-N
XLogP2.33
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)methylsulfanyl]acetic acid
CID 113427889
4-[2-(1-propan-2-ylimidazo[4,5-c]pyridin-2-yl)ethyl]aniline
CID 115339638
2-[1-(1-methoxy-3-methylbutan-2-yl)imidazo[4,5-c]pyridin-2-yl]sulfanylacetic acid
CID 79274594
2-[1-[1-(ethylamino)-1-oxopropan-2-yl]imidazo[4,5-c]pyridin-2-yl]sulfanylacetic acid
CID 79272624
2-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)ethanol
CID 83858384
(1R)-1-(1-propan-2-ylimidazo[4,5-c]pyridin-2-yl)ethanamine
CID 97005120
3-[(1-propan-2-ylimidazo[4,5-c]pyridin-2-yl)methyl]-1,4-thiazinane 1,1-dioxide
CID 80515131
2-(chloromethyl)-1-(4-methylpentan-2-yl)imidazo[4,5-c]pyridine
CID 79292578
2-(1-propan-2-ylimidazo[4,5-c]pyridin-2-yl)butan-2-amine
CID 79798297
2-[(1-propan-2-ylbenzimidazol-2-yl)methoxy]acetic acid
CID 61329129
3-(1-tert-butylimidazo[4,5-c]pyridin-2-yl)-1,1,1-trifluoropropan-2-one
CID 79873092
2-(2-chloroethyl)-3-propan-2-ylimidazo[4,5-c]pyridine
CID 130597330

Frequently Asked Questions

What is the IUPAC name of 2-[(1-propan-2-ylimidazo[4,5-c]pyridin-2-yl)methylsulfanyl]acetic acid?
The IUPAC name of 2-[(1-propan-2-ylimidazo[4,5-c]pyridin-2-yl)methylsulfanyl]acetic acid (CID 113427895) is 2-[(1-propan-2-ylimidazo[4,5-c]pyridin-2-yl)methylsulfanyl]acetic acid.
What is the SMILES notation for 2-[(1-propan-2-ylimidazo[4,5-c]pyridin-2-yl)methylsulfanyl]acetic acid?
The canonical SMILES for 2-[(1-propan-2-ylimidazo[4,5-c]pyridin-2-yl)methylsulfanyl]acetic acid is CC(C)n1c(CSCC(=O)O)nc2cnccc21.
What is the InChIKey of 2-[(1-propan-2-ylimidazo[4,5-c]pyridin-2-yl)methylsulfanyl]acetic acid?
The InChIKey is QZKBNHFWFOWXOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S/c1-8(2)15-10-3-4-13-5-9(10)14-11(15)6-18-7-12(16)17/h3-5,8H,6-7H2,1-2H3,(H,16,17).
What are the key properties of 2-[(1-propan-2-ylimidazo[4,5-c]pyridin-2-yl)methylsulfanyl]acetic acid?
2-[(1-propan-2-ylimidazo[4,5-c]pyridin-2-yl)methylsulfanyl]acetic acid has a molecular weight of 265.34 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-propan-2-ylimidazo[4,5-c]pyridin-2-yl)methylsulfanyl]acetic acid is sourced from PubChem (CID 113427895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).