N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylacetamide

C17H15N5O2S2 — CID 645553

IUPACN-(6-methoxy-1,3-benzothiazol-2-yl)-2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylacetamide
SMILESCOc1ccc2nc(NC(=O)CSc3nc4cccnc4n3C)sc2c1
InChIInChI=1S/C17H15N5O2S2/c1-22-15-12(4-3-7-18-15)20-17(22)25-9-14(23)21-16-19-11-6-5-10(24-2)8-13(11)26-16/h3-8H,9H2,1-2H3,(H,19,21,23)
InChIKeyNGLUSXHDTJGONE-UHFFFAOYSA-N
MW385.47 g/mol
LogP3.32
Rot. Bonds5

About N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylacetamide

N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylacetamide (PubChem CID 645553) has the molecular formula C17H15N5O2S2 and a molecular weight of 385.47 g/mol. Its IUPAC name is N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(6-methoxy-1,3-benzothiazol-2-yl)-2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylacetamide
PubChem CID645553
Molecular FormulaC17H15N5O2S2
Molecular Weight385.47 g/mol
Exact Mass385.07
IUPAC NameN-(6-methoxy-1,3-benzothiazol-2-yl)-2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylacetamide
SMILESCOc1ccc2nc(NC(=O)CSc3nc4cccnc4n3C)sc2c1
InChIInChI=1S/C17H15N5O2S2/c1-22-15-12(4-3-7-18-15)20-17(22)25-9-14(23)21-16-19-11-6-5-10(24-2)8-13(11)26-16/h3-8H,9H2,1-2H3,(H,19,21,23)
InChIKeyNGLUSXHDTJGONE-UHFFFAOYSA-N
XLogP3.32
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylacetamide?
The IUPAC name of N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylacetamide (CID 645553) is N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylacetamide?
The canonical SMILES for N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylacetamide is COc1ccc2nc(NC(=O)CSc3nc4cccnc4n3C)sc2c1.
What is the InChIKey of N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylacetamide?
The InChIKey is NGLUSXHDTJGONE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O2S2/c1-22-15-12(4-3-7-18-15)20-17(22)25-9-14(23)21-16-19-11-6-5-10(24-2)8-13(11)26-16/h3-8H,9H2,1-2H3,(H,19,21,23).
What are the key properties of N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylacetamide?
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylacetamide has a molecular weight of 385.47 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylacetamide is sourced from PubChem (CID 645553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).