N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetamide

C14H14N4OS3 — CID 17385958

IUPACN-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetamide
SMILESO=C(CSC1=NCCS1)Nc1ccc2c(c1)N1CCN=C1S2
InChIInChI=1S/C14H14N4OS3/c19-12(8-21-14-16-4-6-20-14)17-9-1-2-11-10(7-9)18-5-3-15-13(18)22-11/h1-2,7H,3-6,8H2,(H,17,19)
InChIKeyZTKXLYKRGZGEBE-UHFFFAOYSA-N
MW350.49 g/mol
LogP2.74
Rot. Bonds3

About N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetamide

N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetamide (PubChem CID 17385958) has the molecular formula C14H14N4OS3 and a molecular weight of 350.49 g/mol. Its IUPAC name is N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetamide
PubChem CID17385958
Molecular FormulaC14H14N4OS3
Molecular Weight350.49 g/mol
Exact Mass350.03
IUPAC NameN-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetamide
SMILESO=C(CSC1=NCCS1)Nc1ccc2c(c1)N1CCN=C1S2
InChIInChI=1S/C14H14N4OS3/c19-12(8-21-14-16-4-6-20-14)17-9-1-2-11-10(7-9)18-5-3-15-13(18)22-11/h1-2,7H,3-6,8H2,(H,17,19)
InChIKeyZTKXLYKRGZGEBE-UHFFFAOYSA-N
XLogP2.74
TPSA57.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.49
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2,3-Dihydroimidazo(2,1-b)benzothiazol-6-amine
CID 658687
N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide
CID 767827
N-(2,3-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-2,2,2-trifluoroacetamide
CID 2986195
1,2-Dihydroimidazo[2,1-b][1,3]benzothiazol-7-ylthiourea
CID 4275892
2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-(2-methylsulfanylphenyl)acetamide
CID 2099595
2,3-dihydro-N-(2,2,2-trifluoroethyl)imidazo[2,1-b]benzothiazol-6-amine
CID 12873978
Imidazo[2,1-b]benzothiazol-2(3H)-one
CID 129779678
1-(1,2-Dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715456
N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-4-methyl-3-oxoquinoxaline-2-carboxamide
CID 49879166
N-ethyl-2,3-dihydroimidazo[2,1-b]benzothiazol-6-amine
CID 10262876
2,3-dihydro-N-(1-methylethyl)imidazo[2,1-b]benzothiazol-8-amine
CID 12873958
2,3-dihydro-N-(1-methylethyl)imidazo[2,1-b]benzothiazol-6-amine
CID 12873977

Frequently Asked Questions

What is the IUPAC name of N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetamide?
The IUPAC name of N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetamide (CID 17385958) is N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetamide.
What is the SMILES notation for N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetamide?
The canonical SMILES for N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetamide is O=C(CSC1=NCCS1)Nc1ccc2c(c1)N1CCN=C1S2.
What is the InChIKey of N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetamide?
The InChIKey is ZTKXLYKRGZGEBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4OS3/c19-12(8-21-14-16-4-6-20-14)17-9-1-2-11-10(7-9)18-5-3-15-13(18)22-11/h1-2,7H,3-6,8H2,(H,17,19).
What are the key properties of N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetamide?
N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetamide has a molecular weight of 350.49 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 7 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-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetamide is sourced from PubChem (CID 17385958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).