2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)acetamide

C13H12N6OS3 — CID 17385964

IUPAC2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)acetamide
SMILESNc1nnc(SCC(=O)Nc2ccc3c(c2)N2CCN=C2S3)s1
InChIInChI=1S/C13H12N6OS3/c14-11-17-18-13(23-11)21-6-10(20)16-7-1-2-9-8(5-7)19-4-3-15-12(19)22-9/h1-2,5H,3-4,6H2,(H2,14,17)(H,16,20)
InChIKeyAJTQTPLWZKFOAN-UHFFFAOYSA-N
MW364.48 g/mol
LogP2.13
Rot. Bonds4

About 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)acetamide

2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)acetamide (PubChem CID 17385964) has the molecular formula C13H12N6OS3 and a molecular weight of 364.48 g/mol. Its IUPAC name is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)acetamide.

Molecular Properties

Compound Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)acetamide
PubChem CID17385964
Molecular FormulaC13H12N6OS3
Molecular Weight364.48 g/mol
Exact Mass364.02
IUPAC Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)acetamide
SMILESNc1nnc(SCC(=O)Nc2ccc3c(c2)N2CCN=C2S3)s1
InChIInChI=1S/C13H12N6OS3/c14-11-17-18-13(23-11)21-6-10(20)16-7-1-2-9-8(5-7)19-4-3-15-12(19)22-9/h1-2,5H,3-4,6H2,(H2,14,17)(H,16,20)
InChIKeyAJTQTPLWZKFOAN-UHFFFAOYSA-N
XLogP2.13
TPSA96.50 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.48
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-(2-oxo-1,3-benzothiazol-3(2H)-yl)propanamide
CID 3163781
N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-2-[1-(2-fluorophenyl)tetrazol-5-yl]sulfanylacetamide
CID 4871470
2-[[5-(Methylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]pyrimido[2,1-b][1,3]benzothiazol-4-one
CID 45835731
N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)acetamide
CID 12873985
Sdccgsbi-0661783.P001
CID 2541309
N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-2-(thiophen-2-ylmethylsulfanyl)acetamide
CID 4076099
2-(2-aminophenyl)sulfanyl-N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)acetamide
CID 4158103
N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 4289063
N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-2-methyl-3-thiophen-2-ylprop-2-enamide
CID 4870950
N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
CID 4893359
N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-3-thiophen-3-ylprop-2-enamide
CID 4895278
N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-2-[2,4-dioxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]acetamide
CID 4899932

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)acetamide?
The IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)acetamide (CID 17385964) is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)acetamide.
What is the SMILES notation for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)acetamide?
The canonical SMILES for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)acetamide is Nc1nnc(SCC(=O)Nc2ccc3c(c2)N2CCN=C2S3)s1.
What is the InChIKey of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)acetamide?
The InChIKey is AJTQTPLWZKFOAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N6OS3/c14-11-17-18-13(23-11)21-6-10(20)16-7-1-2-9-8(5-7)19-4-3-15-12(19)22-9/h1-2,5H,3-4,6H2,(H2,14,17)(H,16,20).
What are the key properties of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)acetamide?
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)acetamide has a molecular weight of 364.48 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)acetamide is sourced from PubChem (CID 17385964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).