N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-2-[1-(2-ethylphenyl)tetrazol-5-yl]sulfanylacetamide

C20H19N7OS2 — CID 4971114

IUPACN-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-2-[1-(2-ethylphenyl)tetrazol-5-yl]sulfanylacetamide
SMILESCCc1ccccc1-n1nnnc1SCC(=O)Nc1ccc2c(c1)N1CCN=C1S2
InChIInChI=1S/C20H19N7OS2/c1-2-13-5-3-4-6-15(13)27-20(23-24-25-27)29-12-18(28)22-14-7-8-17-16(11-14)26-10-9-21-19(26)30-17/h3-8,11H,2,9-10,12H2,1H3,(H,22,28)
InChIKeyXHOIGJRLGDHBIL-UHFFFAOYSA-N
MW437.55 g/mol
LogP3.24
Rot. Bonds6

About N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-2-[1-(2-ethylphenyl)tetrazol-5-yl]sulfanylacetamide

N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-2-[1-(2-ethylphenyl)tetrazol-5-yl]sulfanylacetamide (PubChem CID 4971114) has the molecular formula C20H19N7OS2 and a molecular weight of 437.55 g/mol. Its IUPAC name is N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-2-[1-(2-ethylphenyl)tetrazol-5-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-2-[1-(2-ethylphenyl)tetrazol-5-yl]sulfanylacetamide
PubChem CID4971114
Molecular FormulaC20H19N7OS2
Molecular Weight437.55 g/mol
Exact Mass437.11
IUPAC NameN-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-2-[1-(2-ethylphenyl)tetrazol-5-yl]sulfanylacetamide
SMILESCCc1ccccc1-n1nnnc1SCC(=O)Nc1ccc2c(c1)N1CCN=C1S2
InChIInChI=1S/C20H19N7OS2/c1-2-13-5-3-4-6-15(13)27-20(23-24-25-27)29-12-18(28)22-14-7-8-17-16(11-14)26-10-9-21-19(26)30-17/h3-8,11H,2,9-10,12H2,1H3,(H,22,28)
InChIKeyXHOIGJRLGDHBIL-UHFFFAOYSA-N
XLogP3.24
TPSA88.30 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.55
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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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-[1-(2-ethylphenyl)tetrazol-5-yl]sulfanylacetamide?
The IUPAC name of N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-2-[1-(2-ethylphenyl)tetrazol-5-yl]sulfanylacetamide (CID 4971114) is N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-2-[1-(2-ethylphenyl)tetrazol-5-yl]sulfanylacetamide.
What is the SMILES notation for N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-2-[1-(2-ethylphenyl)tetrazol-5-yl]sulfanylacetamide?
The canonical SMILES for N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-2-[1-(2-ethylphenyl)tetrazol-5-yl]sulfanylacetamide is CCc1ccccc1-n1nnnc1SCC(=O)Nc1ccc2c(c1)N1CCN=C1S2.
What is the InChIKey of N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-2-[1-(2-ethylphenyl)tetrazol-5-yl]sulfanylacetamide?
The InChIKey is XHOIGJRLGDHBIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N7OS2/c1-2-13-5-3-4-6-15(13)27-20(23-24-25-27)29-12-18(28)22-14-7-8-17-16(11-14)26-10-9-21-19(26)30-17/h3-8,11H,2,9-10,12H2,1H3,(H,22,28).
What are the key properties of N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-2-[1-(2-ethylphenyl)tetrazol-5-yl]sulfanylacetamide?
N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-2-[1-(2-ethylphenyl)tetrazol-5-yl]sulfanylacetamide has a molecular weight of 437.55 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 9 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-[1-(2-ethylphenyl)tetrazol-5-yl]sulfanylacetamide is sourced from PubChem (CID 4971114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).