N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylpropanamide

C20H19N7OS2 — CID 4895406

IUPACN-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylpropanamide
SMILESCc1ccc(-n2nnnc2SC(C)C(=O)Nc2ccc3c(c2)N2CCN=C2S3)cc1
InChIInChI=1S/C20H19N7OS2/c1-12-3-6-15(7-4-12)27-20(23-24-25-27)29-13(2)18(28)22-14-5-8-17-16(11-14)26-10-9-21-19(26)30-17/h3-8,11,13H,9-10H2,1-2H3,(H,22,28)
InChIKeyLJYZDZQCARBJSL-UHFFFAOYSA-N
MW437.55 g/mol
LogP3.37
Rot. Bonds5

About N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylpropanamide

N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylpropanamide (PubChem CID 4895406) 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-(4-methylphenyl)tetrazol-5-yl]sulfanylpropanamide.

Molecular Properties

Compound NameN-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylpropanamide
PubChem CID4895406
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-(4-methylphenyl)tetrazol-5-yl]sulfanylpropanamide
SMILESCc1ccc(-n2nnnc2SC(C)C(=O)Nc2ccc3c(c2)N2CCN=C2S3)cc1
InChIInChI=1S/C20H19N7OS2/c1-12-3-6-15(7-4-12)27-20(23-24-25-27)29-13(2)18(28)22-14-5-8-17-16(11-14)26-10-9-21-19(26)30-17/h3-8,11,13H,9-10H2,1-2H3,(H,22,28)
InChIKeyLJYZDZQCARBJSL-UHFFFAOYSA-N
XLogP3.37
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 ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-(2-methylphenyl)-2-({1-[2-(methylthio)phenyl]-1H-tetrazol-5-yl}thio)acetamide
CID 1294921
N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-2-[1-(2-fluorophenyl)tetrazol-5-yl]sulfanylacetamide
CID 4871470
2-{[1-(2-methylphenyl)-1H-tetrazol-5-yl]thio}-N-[2-(methylthio)phenyl]acetamide
CID 2208108
N-[3-[5-[[4-(methylamino)phenyl]methylsulfanyl]tetrazol-1-yl]phenyl]acetamide
CID 54126630
2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanyl-N-(2-methylsulfanylphenyl)acetamide
CID 2616971
3-[3-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylpropyl]-1H-benzimidazol-2-one
CID 2686015
2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanyl-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 4256953
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)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 4894112
2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)acetamide
CID 4894838
N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 4896788
N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 4898380

Frequently Asked Questions

What is the IUPAC name of N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylpropanamide?
The IUPAC name of N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylpropanamide (CID 4895406) is N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylpropanamide.
What is the SMILES notation for N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylpropanamide?
The canonical SMILES for N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylpropanamide is Cc1ccc(-n2nnnc2SC(C)C(=O)Nc2ccc3c(c2)N2CCN=C2S3)cc1.
What is the InChIKey of N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylpropanamide?
The InChIKey is LJYZDZQCARBJSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N7OS2/c1-12-3-6-15(7-4-12)27-20(23-24-25-27)29-13(2)18(28)22-14-5-8-17-16(11-14)26-10-9-21-19(26)30-17/h3-8,11,13H,9-10H2,1-2H3,(H,22,28).
What are the key properties of N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylpropanamide?
N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylpropanamide has a molecular weight of 437.55 g/mol, XLogP of 3.37, 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-(4-methylphenyl)tetrazol-5-yl]sulfanylpropanamide is sourced from PubChem (CID 4895406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).