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

C19H17N7OS2 — CID 4894112

IUPACN-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide
SMILESCc1ccccc1-n1nnnc1SCC(=O)Nc1ccc2c(c1)N1CCN=C1S2
InChIInChI=1S/C19H17N7OS2/c1-12-4-2-3-5-14(12)26-19(22-23-24-26)28-11-17(27)21-13-6-7-16-15(10-13)25-9-8-20-18(25)29-16/h2-7,10H,8-9,11H2,1H3,(H,21,27)
InChIKeySQVJFJIQFZPVCX-UHFFFAOYSA-N
MW423.53 g/mol
LogP2.98
Rot. Bonds5

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

N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide (PubChem CID 4894112) has the molecular formula C19H17N7OS2 and a molecular weight of 423.53 g/mol. Its IUPAC name is N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide
PubChem CID4894112
Molecular FormulaC19H17N7OS2
Molecular Weight423.53 g/mol
Exact Mass423.09
IUPAC NameN-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide
SMILESCc1ccccc1-n1nnnc1SCC(=O)Nc1ccc2c(c1)N1CCN=C1S2
InChIInChI=1S/C19H17N7OS2/c1-12-4-2-3-5-14(12)26-19(22-23-24-26)28-11-17(27)21-13-6-7-16-15(10-13)25-9-8-20-18(25)29-16/h2-7,10H,8-9,11H2,1H3,(H,21,27)
InChIKeySQVJFJIQFZPVCX-UHFFFAOYSA-N
XLogP2.98
TPSA88.30 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.53
LogP ≤ 52.98
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-methylphenyl)tetrazol-5-yl]sulfanylacetamide?
The IUPAC name of N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide (CID 4894112) is N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-2-[1-(2-methylphenyl)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-methylphenyl)tetrazol-5-yl]sulfanylacetamide?
The canonical SMILES for N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide is Cc1ccccc1-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-methylphenyl)tetrazol-5-yl]sulfanylacetamide?
The InChIKey is SQVJFJIQFZPVCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N7OS2/c1-12-4-2-3-5-14(12)26-19(22-23-24-26)28-11-17(27)21-13-6-7-16-15(10-13)25-9-8-20-18(25)29-16/h2-7,10H,8-9,11H2,1H3,(H,21,27).
What are the key properties of N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide?
N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide has a molecular weight of 423.53 g/mol, XLogP of 2.98, 5 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-methylphenyl)tetrazol-5-yl]sulfanylacetamide is sourced from PubChem (CID 4894112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).