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

C18H15N7OS2 — CID 17385960

IUPACN-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
SMILESO=C(CSc1nnnn1-c1ccccc1)Nc1ccc2c(c1)N1CCN=C1S2
InChIInChI=1S/C18H15N7OS2/c26-16(11-27-18-21-22-23-25(18)13-4-2-1-3-5-13)20-12-6-7-15-14(10-12)24-9-8-19-17(24)28-15/h1-7,10H,8-9,11H2,(H,20,26)
InChIKeyKPCQTTHSPYCLGI-UHFFFAOYSA-N
MW409.50 g/mol
LogP2.67
Rot. Bonds5

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

N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide (PubChem CID 17385960) has the molecular formula C18H15N7OS2 and a molecular weight of 409.50 g/mol. Its IUPAC name is N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
PubChem CID17385960
Molecular FormulaC18H15N7OS2
Molecular Weight409.50 g/mol
Exact Mass409.08
IUPAC NameN-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
SMILESO=C(CSc1nnnn1-c1ccccc1)Nc1ccc2c(c1)N1CCN=C1S2
InChIInChI=1S/C18H15N7OS2/c26-16(11-27-18-21-22-23-25(18)13-4-2-1-3-5-13)20-12-6-7-15-14(10-12)24-9-8-19-17(24)28-15/h1-7,10H,8-9,11H2,(H,20,26)
InChIKeyKPCQTTHSPYCLGI-UHFFFAOYSA-N
XLogP2.67
TPSA88.30 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.50
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide 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-phenyltetrazol-5-yl)sulfanylacetamide?
The IUPAC name of N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide (CID 17385960) is N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide.
What is the SMILES notation for N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide?
The canonical SMILES for N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide is O=C(CSc1nnnn1-c1ccccc1)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)sulfanylacetamide?
The InChIKey is KPCQTTHSPYCLGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N7OS2/c26-16(11-27-18-21-22-23-25(18)13-4-2-1-3-5-13)20-12-6-7-15-14(10-12)24-9-8-19-17(24)28-15/h1-7,10H,8-9,11H2,(H,20,26).
What are the key properties of N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide?
N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide has a molecular weight of 409.50 g/mol, XLogP of 2.67, 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)sulfanylacetamide is sourced from PubChem (CID 17385960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).