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

C20H19N7OS2 — CID 4898380

IUPACN-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanylpropanamide
SMILESCc1cccc(-n2nnnc2SC(C)C(=O)Nc2ccc3c(c2)N2CCN=C2S3)c1
InChIInChI=1S/C20H19N7OS2/c1-12-4-3-5-15(10-12)27-20(23-24-25-27)29-13(2)18(28)22-14-6-7-17-16(11-14)26-9-8-21-19(26)30-17/h3-7,10-11,13H,8-9H2,1-2H3,(H,22,28)
InChIKeyDKAGQYDRMBBFFQ-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-(3-methylphenyl)tetrazol-5-yl]sulfanylpropanamide

N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanylpropanamide (PubChem CID 4898380) 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-(3-methylphenyl)tetrazol-5-yl]sulfanylpropanamide.

Molecular Properties

Compound NameN-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanylpropanamide
PubChem CID4898380
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-(3-methylphenyl)tetrazol-5-yl]sulfanylpropanamide
SMILESCc1cccc(-n2nnnc2SC(C)C(=O)Nc2ccc3c(c2)N2CCN=C2S3)c1
InChIInChI=1S/C20H19N7OS2/c1-12-4-3-5-15(10-12)27-20(23-24-25-27)29-13(2)18(28)22-14-6-7-17-16(11-14)26-9-8-21-19(26)30-17/h3-7,10-11,13H,8-9H2,1-2H3,(H,22,28)
InChIKeyDKAGQYDRMBBFFQ-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanylpropanamide?
The IUPAC name of N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanylpropanamide (CID 4898380) is N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-2-[1-(3-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-(3-methylphenyl)tetrazol-5-yl]sulfanylpropanamide?
The canonical SMILES for N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanylpropanamide is Cc1cccc(-n2nnnc2SC(C)C(=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-(3-methylphenyl)tetrazol-5-yl]sulfanylpropanamide?
The InChIKey is DKAGQYDRMBBFFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N7OS2/c1-12-4-3-5-15(10-12)27-20(23-24-25-27)29-13(2)18(28)22-14-6-7-17-16(11-14)26-9-8-21-19(26)30-17/h3-7,10-11,13H,8-9H2,1-2H3,(H,22,28).
What are the key properties of N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanylpropanamide?
N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-2-[1-(3-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-(3-methylphenyl)tetrazol-5-yl]sulfanylpropanamide is sourced from PubChem (CID 4898380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).