N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-2-(thiophen-2-ylmethylsulfanyl)acetamide

C16H15N3OS3 — CID 4076099

IUPACN-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-2-(thiophen-2-ylmethylsulfanyl)acetamide
SMILESO=C(CSCc1cccs1)Nc1ccc2c(c1)N1CCN=C1S2
InChIInChI=1S/C16H15N3OS3/c20-15(10-21-9-12-2-1-7-22-12)18-11-3-4-14-13(8-11)19-6-5-17-16(19)23-14/h1-4,7-8H,5-6,9-10H2,(H,18,20)
InChIKeyWXAOBETVGRHDMP-UHFFFAOYSA-N
MW361.52 g/mol
LogP3.90
Rot. Bonds5

About N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-2-(thiophen-2-ylmethylsulfanyl)acetamide

N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-2-(thiophen-2-ylmethylsulfanyl)acetamide (PubChem CID 4076099) has the molecular formula C16H15N3OS3 and a molecular weight of 361.52 g/mol. Its IUPAC name is N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-2-(thiophen-2-ylmethylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-2-(thiophen-2-ylmethylsulfanyl)acetamide
PubChem CID4076099
Molecular FormulaC16H15N3OS3
Molecular Weight361.52 g/mol
Exact Mass361.04
IUPAC NameN-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-2-(thiophen-2-ylmethylsulfanyl)acetamide
SMILESO=C(CSCc1cccs1)Nc1ccc2c(c1)N1CCN=C1S2
InChIInChI=1S/C16H15N3OS3/c20-15(10-21-9-12-2-1-7-22-12)18-11-3-4-14-13(8-11)19-6-5-17-16(19)23-14/h1-4,7-8H,5-6,9-10H2,(H,18,20)
InChIKeyWXAOBETVGRHDMP-UHFFFAOYSA-N
XLogP3.90
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.52
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-2-(thiophen-2-ylmethylsulfanyl)acetamide?
The IUPAC name of N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-2-(thiophen-2-ylmethylsulfanyl)acetamide (CID 4076099) is N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-2-(thiophen-2-ylmethylsulfanyl)acetamide.
What is the SMILES notation for N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-2-(thiophen-2-ylmethylsulfanyl)acetamide?
The canonical SMILES for N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-2-(thiophen-2-ylmethylsulfanyl)acetamide is O=C(CSCc1cccs1)Nc1ccc2c(c1)N1CCN=C1S2.
What is the InChIKey of N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-2-(thiophen-2-ylmethylsulfanyl)acetamide?
The InChIKey is WXAOBETVGRHDMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3OS3/c20-15(10-21-9-12-2-1-7-22-12)18-11-3-4-14-13(8-11)19-6-5-17-16(19)23-14/h1-4,7-8H,5-6,9-10H2,(H,18,20).
What are the key properties of N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-2-(thiophen-2-ylmethylsulfanyl)acetamide?
N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-2-(thiophen-2-ylmethylsulfanyl)acetamide has a molecular weight of 361.52 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-2-(thiophen-2-ylmethylsulfanyl)acetamide is sourced from PubChem (CID 4076099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).