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

C20H19N7OS2 — CID 4898546

IUPACN-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide
SMILESCc1ccc(C)c(-n2nnnc2SCC(=O)Nc2ccc3c(c2)N2CCN=C2S3)c1
InChIInChI=1S/C20H19N7OS2/c1-12-3-4-13(2)15(9-12)27-20(23-24-25-27)29-11-18(28)22-14-5-6-17-16(10-14)26-8-7-21-19(26)30-17/h3-6,9-10H,7-8,11H2,1-2H3,(H,22,28)
InChIKeyRPDQBQWKHXPILX-UHFFFAOYSA-N
MW437.55 g/mol
LogP3.29
Rot. Bonds5

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

N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide (PubChem CID 4898546) 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-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide
PubChem CID4898546
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-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide
SMILESCc1ccc(C)c(-n2nnnc2SCC(=O)Nc2ccc3c(c2)N2CCN=C2S3)c1
InChIInChI=1S/C20H19N7OS2/c1-12-3-4-13(2)15(9-12)27-20(23-24-25-27)29-11-18(28)22-14-5-6-17-16(10-14)26-8-7-21-19(26)30-17/h3-6,9-10H,7-8,11H2,1-2H3,(H,22,28)
InChIKeyRPDQBQWKHXPILX-UHFFFAOYSA-N
XLogP3.29
TPSA88.30 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.55
LogP ≤ 53.29
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-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide?
The IUPAC name of N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide (CID 4898546) is N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide.
What is the SMILES notation for N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide?
The canonical SMILES for N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide is Cc1ccc(C)c(-n2nnnc2SCC(=O)Nc2ccc3c(c2)N2CCN=C2S3)c1.
What is the InChIKey of N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide?
The InChIKey is RPDQBQWKHXPILX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N7OS2/c1-12-3-4-13(2)15(9-12)27-20(23-24-25-27)29-11-18(28)22-14-5-6-17-16(10-14)26-8-7-21-19(26)30-17/h3-6,9-10H,7-8,11H2,1-2H3,(H,22,28).
What are the key properties of N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide?
N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide has a molecular weight of 437.55 g/mol, XLogP of 3.29, 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-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide is sourced from PubChem (CID 4898546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).