N-[(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)methyl]-2,1,3-benzothiadiazole-4-sulfonamide

C16H16N6O2S2 — CID 53010980

IUPACN-[(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)methyl]-2,1,3-benzothiadiazole-4-sulfonamide
SMILESCC(C)n1c(CNS(=O)(=O)c2cccc3nsnc23)nc2cccnc21
InChIInChI=1S/C16H16N6O2S2/c1-10(2)22-14(19-12-6-4-8-17-16(12)22)9-18-26(23,24)13-7-3-5-11-15(13)21-25-20-11/h3-8,10,18H,9H2,1-2H3
InChIKeyMZWGEYUSEGXQSE-UHFFFAOYSA-N
MW388.48 g/mol
LogP2.50
Rot. Bonds5

About N-[(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)methyl]-2,1,3-benzothiadiazole-4-sulfonamide

N-[(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)methyl]-2,1,3-benzothiadiazole-4-sulfonamide (PubChem CID 53010980) has the molecular formula C16H16N6O2S2 and a molecular weight of 388.48 g/mol. Its IUPAC name is N-[(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)methyl]-2,1,3-benzothiadiazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)methyl]-2,1,3-benzothiadiazole-4-sulfonamide
PubChem CID53010980
Molecular FormulaC16H16N6O2S2
Molecular Weight388.48 g/mol
Exact Mass388.08
IUPAC NameN-[(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)methyl]-2,1,3-benzothiadiazole-4-sulfonamide
SMILESCC(C)n1c(CNS(=O)(=O)c2cccc3nsnc23)nc2cccnc21
InChIInChI=1S/C16H16N6O2S2/c1-10(2)22-14(19-12-6-4-8-17-16(12)22)9-18-26(23,24)13-7-3-5-11-15(13)21-25-20-11/h3-8,10,18H,9H2,1-2H3
InChIKeyMZWGEYUSEGXQSE-UHFFFAOYSA-N
XLogP2.50
TPSA102.66 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.48
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)methyl]-2,1,3-benzothiadiazole-4-sulfonamide?
The IUPAC name of N-[(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)methyl]-2,1,3-benzothiadiazole-4-sulfonamide (CID 53010980) is N-[(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)methyl]-2,1,3-benzothiadiazole-4-sulfonamide.
What is the SMILES notation for N-[(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)methyl]-2,1,3-benzothiadiazole-4-sulfonamide?
The canonical SMILES for N-[(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)methyl]-2,1,3-benzothiadiazole-4-sulfonamide is CC(C)n1c(CNS(=O)(=O)c2cccc3nsnc23)nc2cccnc21.
What is the InChIKey of N-[(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)methyl]-2,1,3-benzothiadiazole-4-sulfonamide?
The InChIKey is MZWGEYUSEGXQSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O2S2/c1-10(2)22-14(19-12-6-4-8-17-16(12)22)9-18-26(23,24)13-7-3-5-11-15(13)21-25-20-11/h3-8,10,18H,9H2,1-2H3.
What are the key properties of N-[(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)methyl]-2,1,3-benzothiadiazole-4-sulfonamide?
N-[(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)methyl]-2,1,3-benzothiadiazole-4-sulfonamide has a molecular weight of 388.48 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)methyl]-2,1,3-benzothiadiazole-4-sulfonamide is sourced from PubChem (CID 53010980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).