N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide

C20H14N4OS2 — CID 40723014

IUPACN-[3-(1,3-benzothiazol-2-yl)phenyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
SMILESO=C(Cc1cn2ccsc2n1)Nc1cccc(-c2nc3ccccc3s2)c1
InChIInChI=1S/C20H14N4OS2/c25-18(11-15-12-24-8-9-26-20(24)22-15)21-14-5-3-4-13(10-14)19-23-16-6-1-2-7-17(16)27-19/h1-10,12H,11H2,(H,21,25)
InChIKeyRDEDTOMGWNWGTR-UHFFFAOYSA-N
MW390.49 g/mol
LogP4.85
Rot. Bonds4

About N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide

N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide (PubChem CID 40723014) has the molecular formula C20H14N4OS2 and a molecular weight of 390.49 g/mol. Its IUPAC name is N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide.

Molecular Properties

Compound NameN-[3-(1,3-benzothiazol-2-yl)phenyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
PubChem CID40723014
Molecular FormulaC20H14N4OS2
Molecular Weight390.49 g/mol
Exact Mass390.06
IUPAC NameN-[3-(1,3-benzothiazol-2-yl)phenyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
SMILESO=C(Cc1cn2ccsc2n1)Nc1cccc(-c2nc3ccccc3s2)c1
InChIInChI=1S/C20H14N4OS2/c25-18(11-15-12-24-8-9-26-20(24)22-15)21-14-5-3-4-13(10-14)19-23-16-6-1-2-7-17(16)27-19/h1-10,12H,11H2,(H,21,25)
InChIKeyRDEDTOMGWNWGTR-UHFFFAOYSA-N
XLogP4.85
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-imidazo[2,1-b][1,3]thiazol-6-yl-N-phenylacetamide
CID 4623847
N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-(4-hydroxyphenyl)acetamide
CID 78837215
N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-naphthalen-2-ylacetamide
CID 16849367
N-[4-[2-[3-(1,3-benzothiazol-2-yl)anilino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide
CID 38749982
S-[2-[3-(1,3-benzothiazol-2-yl)anilino]-2-oxoethyl] ethanethioate
CID 16949140
N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-(4-methylphenyl)sulfanylacetamide
CID 3454814
N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-(4-fluorophenyl)sulfanylacetamide
CID 8610050
N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-(3-methoxyphenyl)acetamide
CID 16911452
N-(4-chlorophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
CID 5057213
N-[3-(1,3-benzothiazol-2-yl)phenyl]-2,3,4,5,6-pentafluorobenzamide
CID 5067994
tert-butyl N-[2-[3-(1,3-benzothiazol-2-yl)anilino]-2-oxoethyl]-N-methylcarbamate
CID 56520607
2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[3-(2-oxopiperidin-1-yl)phenyl]acetamide
CID 46416695

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide?
The IUPAC name of N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide (CID 40723014) is N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide.
What is the SMILES notation for N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide?
The canonical SMILES for N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide is O=C(Cc1cn2ccsc2n1)Nc1cccc(-c2nc3ccccc3s2)c1.
What is the InChIKey of N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide?
The InChIKey is RDEDTOMGWNWGTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N4OS2/c25-18(11-15-12-24-8-9-26-20(24)22-15)21-14-5-3-4-13(10-14)19-23-16-6-1-2-7-17(16)27-19/h1-10,12H,11H2,(H,21,25).
What are the key properties of N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide?
N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide has a molecular weight of 390.49 g/mol, XLogP of 4.85, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide is sourced from PubChem (CID 40723014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).