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

C18H17N5O2S2 — CID 652434

IUPACN-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylacetamide
SMILESCCOc1ccc2nc(NC(=O)CSc3nc4cccnc4n3C)sc2c1
InChIInChI=1S/C18H17N5O2S2/c1-3-25-11-6-7-12-14(9-11)27-17(20-12)22-15(24)10-26-18-21-13-5-4-8-19-16(13)23(18)2/h4-9H,3,10H2,1-2H3,(H,20,22,24)
InChIKeyCXSSCPPYFDIMTE-UHFFFAOYSA-N
MW399.50 g/mol
LogP3.71
Rot. Bonds6

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

N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylacetamide (PubChem CID 652434) has the molecular formula C18H17N5O2S2 and a molecular weight of 399.50 g/mol. Its IUPAC name is N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylacetamide
PubChem CID652434
Molecular FormulaC18H17N5O2S2
Molecular Weight399.50 g/mol
Exact Mass399.08
IUPAC NameN-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylacetamide
SMILESCCOc1ccc2nc(NC(=O)CSc3nc4cccnc4n3C)sc2c1
InChIInChI=1S/C18H17N5O2S2/c1-3-25-11-6-7-12-14(9-11)27-17(20-12)22-15(24)10-26-18-21-13-5-4-8-19-16(13)23(18)2/h4-9H,3,10H2,1-2H3,(H,20,22,24)
InChIKeyCXSSCPPYFDIMTE-UHFFFAOYSA-N
XLogP3.71
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylacetamide?
The IUPAC name of N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylacetamide (CID 652434) is N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylacetamide?
The canonical SMILES for N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylacetamide is CCOc1ccc2nc(NC(=O)CSc3nc4cccnc4n3C)sc2c1.
What is the InChIKey of N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylacetamide?
The InChIKey is CXSSCPPYFDIMTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O2S2/c1-3-25-11-6-7-12-14(9-11)27-17(20-12)22-15(24)10-26-18-21-13-5-4-8-19-16(13)23(18)2/h4-9H,3,10H2,1-2H3,(H,20,22,24).
What are the key properties of N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylacetamide?
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylacetamide has a molecular weight of 399.50 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylacetamide is sourced from PubChem (CID 652434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).