2-[1-(2,2-dimethylbutyl)imidazo[4,5-c]pyridin-2-yl]sulfanylacetic acid

C14H19N3O2S — CID 103462857

IUPAC2-[1-(2,2-dimethylbutyl)imidazo[4,5-c]pyridin-2-yl]sulfanylacetic acid
SMILESCCC(C)(C)Cn1c(SCC(=O)O)nc2cnccc21
InChIInChI=1S/C14H19N3O2S/c1-4-14(2,3)9-17-11-5-6-15-7-10(11)16-13(17)20-8-12(18)19/h5-7H,4,8-9H2,1-3H3,(H,18,19)
InChIKeyNTOYZXWVLXUOSB-UHFFFAOYSA-N
MW293.39 g/mol
LogP3.04
Rot. Bonds6

About 2-[1-(2,2-dimethylbutyl)imidazo[4,5-c]pyridin-2-yl]sulfanylacetic acid

2-[1-(2,2-dimethylbutyl)imidazo[4,5-c]pyridin-2-yl]sulfanylacetic acid (PubChem CID 103462857) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is 2-[1-(2,2-dimethylbutyl)imidazo[4,5-c]pyridin-2-yl]sulfanylacetic acid.

Molecular Properties

Compound Name2-[1-(2,2-dimethylbutyl)imidazo[4,5-c]pyridin-2-yl]sulfanylacetic acid
PubChem CID103462857
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC Name2-[1-(2,2-dimethylbutyl)imidazo[4,5-c]pyridin-2-yl]sulfanylacetic acid
SMILESCCC(C)(C)Cn1c(SCC(=O)O)nc2cnccc21
InChIInChI=1S/C14H19N3O2S/c1-4-14(2,3)9-17-11-5-6-15-7-10(11)16-13(17)20-8-12(18)19/h5-7H,4,8-9H2,1-3H3,(H,18,19)
InChIKeyNTOYZXWVLXUOSB-UHFFFAOYSA-N
XLogP3.04
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-[3-(methylamino)-3-oxopropyl]imidazo[4,5-c]pyridin-2-yl]sulfanylacetic acid
CID 79292908
2-[1-(1,2-oxazol-3-ylmethyl)imidazo[4,5-c]pyridin-2-yl]sulfanylacetic acid
CID 81178402
2-[1-(2-carbamoyloxyethyl)imidazo[4,5-c]pyridin-2-yl]sulfanylacetic acid
CID 83203299
2-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]imidazo[4,5-c]pyridin-2-yl]sulfanylacetic acid
CID 79270354
2-[5-tert-butyl-1-(2,2-dimethylbutyl)imidazol-2-yl]sulfanylacetic acid
CID 103463512
2-[1-[2-(1,3-thiazol-2-yl)ethyl]imidazo[4,5-c]pyridin-2-yl]sulfanylacetic acid
CID 79273014
2-[1-(oxolan-2-ylmethyl)imidazo[4,5-c]pyridin-2-yl]sulfanylacetic acid
CID 79292551
2-[1-[1-(ethylamino)-1-oxopropan-2-yl]imidazo[4,5-c]pyridin-2-yl]sulfanylacetic acid
CID 79272624
2-[1-(4-iodophenyl)imidazo[4,5-c]pyridin-2-yl]sulfanylacetic acid
CID 79271520
2-(1-ethylbenzimidazol-2-yl)sulfanylacetic acid
CID 720898
2-[1-(1-methoxy-3-methylbutan-2-yl)imidazo[4,5-c]pyridin-2-yl]sulfanylacetic acid
CID 79274594
2-[[5-amino-4-(2,2-dimethylbutyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 103465045

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,2-dimethylbutyl)imidazo[4,5-c]pyridin-2-yl]sulfanylacetic acid?
The IUPAC name of 2-[1-(2,2-dimethylbutyl)imidazo[4,5-c]pyridin-2-yl]sulfanylacetic acid (CID 103462857) is 2-[1-(2,2-dimethylbutyl)imidazo[4,5-c]pyridin-2-yl]sulfanylacetic acid.
What is the SMILES notation for 2-[1-(2,2-dimethylbutyl)imidazo[4,5-c]pyridin-2-yl]sulfanylacetic acid?
The canonical SMILES for 2-[1-(2,2-dimethylbutyl)imidazo[4,5-c]pyridin-2-yl]sulfanylacetic acid is CCC(C)(C)Cn1c(SCC(=O)O)nc2cnccc21.
What is the InChIKey of 2-[1-(2,2-dimethylbutyl)imidazo[4,5-c]pyridin-2-yl]sulfanylacetic acid?
The InChIKey is NTOYZXWVLXUOSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-4-14(2,3)9-17-11-5-6-15-7-10(11)16-13(17)20-8-12(18)19/h5-7H,4,8-9H2,1-3H3,(H,18,19).
What are the key properties of 2-[1-(2,2-dimethylbutyl)imidazo[4,5-c]pyridin-2-yl]sulfanylacetic acid?
2-[1-(2,2-dimethylbutyl)imidazo[4,5-c]pyridin-2-yl]sulfanylacetic acid has a molecular weight of 293.39 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,2-dimethylbutyl)imidazo[4,5-c]pyridin-2-yl]sulfanylacetic acid is sourced from PubChem (CID 103462857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).