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

C19H19N5OS2 — CID 45209828

IUPACN-[1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
SMILESO=C(Cc1cn2ccsc2n1)NC1CCCN(c2nc3ccccc3s2)C1
InChIInChI=1S/C19H19N5OS2/c25-17(10-14-12-24-8-9-26-18(24)21-14)20-13-4-3-7-23(11-13)19-22-15-5-1-2-6-16(15)27-19/h1-2,5-6,8-9,12-13H,3-4,7,10-11H2,(H,20,25)
InChIKeyVJGZQUTWUAMOHP-UHFFFAOYSA-N
MW397.53 g/mol
LogP3.33
Rot. Bonds4

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

N-[1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide (PubChem CID 45209828) has the molecular formula C19H19N5OS2 and a molecular weight of 397.53 g/mol. Its IUPAC name is N-[1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide.

Molecular Properties

Compound NameN-[1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
PubChem CID45209828
Molecular FormulaC19H19N5OS2
Molecular Weight397.53 g/mol
Exact Mass397.10
IUPAC NameN-[1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
SMILESO=C(Cc1cn2ccsc2n1)NC1CCCN(c2nc3ccccc3s2)C1
InChIInChI=1S/C19H19N5OS2/c25-17(10-14-12-24-8-9-26-18(24)21-14)20-13-4-3-7-23(11-13)19-22-15-5-1-2-6-16(15)27-19/h1-2,5-6,8-9,12-13H,3-4,7,10-11H2,(H,20,25)
InChIKeyVJGZQUTWUAMOHP-UHFFFAOYSA-N
XLogP3.33
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.53
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-3-methylbutanamide
CID 56896130
N-[(3S)-1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-3-phenoxypropanamide
CID 42595942
N-(1-cycloheptylpiperidin-3-yl)-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
CID 45244043
5-acetyl-N-[(3R)-1-(1,3-benzothiazol-2-yl)piperidin-3-yl]thiophene-2-carboxamide
CID 26320561
5-acetyl-N-[1-(1,3-benzothiazol-2-yl)piperidin-3-yl]thiophene-2-carboxamide
CID 45228990
N-[1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-2-methylsulfanyl-1,3-thiazole-4-carboxamide
CID 45168499
1-[(3R)-1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-3-(3-methoxypropyl)urea
CID 7455185
N-[(1R,3R)-3-(hydroxymethyl)cyclohexyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
CID 163316234
N-[(3S)-1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-4-methylthiadiazole-5-carboxamide
CID 25452095
N-[1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-3-methyl-1-propylpyrazole-4-carboxamide
CID 45188448
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(2-pyridin-2-ylpyrrolidin-1-yl)ethanone
CID 70729152
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]ethanone
CID 94616471

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide?
The IUPAC name of N-[1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide (CID 45209828) is N-[1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide.
What is the SMILES notation for N-[1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide?
The canonical SMILES for N-[1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide is O=C(Cc1cn2ccsc2n1)NC1CCCN(c2nc3ccccc3s2)C1.
What is the InChIKey of N-[1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide?
The InChIKey is VJGZQUTWUAMOHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5OS2/c25-17(10-14-12-24-8-9-26-18(24)21-14)20-13-4-3-7-23(11-13)19-22-15-5-1-2-6-16(15)27-19/h1-2,5-6,8-9,12-13H,3-4,7,10-11H2,(H,20,25).
What are the key properties of N-[1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide?
N-[1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide has a molecular weight of 397.53 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide is sourced from PubChem (CID 45209828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).