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

C19H17N7OS2 — CID 4893359

IUPACN-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
SMILESCC(Sc1nnnn1-c1ccccc1)C(=O)Nc1ccc2c(c1)N1CCN=C1S2
InChIInChI=1S/C19H17N7OS2/c1-12(28-19-22-23-24-26(19)14-5-3-2-4-6-14)17(27)21-13-7-8-16-15(11-13)25-10-9-20-18(25)29-16/h2-8,11-12H,9-10H2,1H3,(H,21,27)
InChIKeyYTHBCEINLRETNO-UHFFFAOYSA-N
MW423.53 g/mol
LogP3.06
Rot. Bonds5

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

N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide (PubChem CID 4893359) 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-phenyltetrazol-5-yl)sulfanylpropanamide.

Molecular Properties

Compound NameN-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
PubChem CID4893359
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-phenyltetrazol-5-yl)sulfanylpropanamide
SMILESCC(Sc1nnnn1-c1ccccc1)C(=O)Nc1ccc2c(c1)N1CCN=C1S2
InChIInChI=1S/C19H17N7OS2/c1-12(28-19-22-23-24-26(19)14-5-3-2-4-6-14)17(27)21-13-7-8-16-15(11-13)25-10-9-20-18(25)29-16/h2-8,11-12H,9-10H2,1H3,(H,21,27)
InChIKeyYTHBCEINLRETNO-UHFFFAOYSA-N
XLogP3.06
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 ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-[2-(Methylsulfanyl)phenyl]-2-({1-[2-(methylsulfanyl)phenyl]-1H-tetrazol-5-yl}sulfanyl)acetamide
CID 1006914
N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-2-[1-(2-fluorophenyl)tetrazol-5-yl]sulfanylacetamide
CID 4871470
N-(2-methylsulfanylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 2621330
N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 2980141
2-(2-aminophenyl)sulfanyl-N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)acetamide
CID 4158103
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-(4-methylphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 4895406
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
N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 4898546
N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 4898894

Frequently Asked Questions

What is the IUPAC name of N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide?
The IUPAC name of N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide (CID 4893359) is N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide.
What is the SMILES notation for N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide?
The canonical SMILES for N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide is CC(Sc1nnnn1-c1ccccc1)C(=O)Nc1ccc2c(c1)N1CCN=C1S2.
What is the InChIKey of N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide?
The InChIKey is YTHBCEINLRETNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N7OS2/c1-12(28-19-22-23-24-26(19)14-5-3-2-4-6-14)17(27)21-13-7-8-16-15(11-13)25-10-9-20-18(25)29-16/h2-8,11-12H,9-10H2,1H3,(H,21,27).
What are the key properties of N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide?
N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide has a molecular weight of 423.53 g/mol, XLogP of 3.06, 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-phenyltetrazol-5-yl)sulfanylpropanamide is sourced from PubChem (CID 4893359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).