[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-imidazo[1,2-a]pyridin-2-ylmethanone

C20H19N5OS — CID 42884687

IUPAC[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-imidazo[1,2-a]pyridin-2-ylmethanone
SMILESO=C(c1cn2ccccc2n1)N1CCN(Cc2nc3ccccc3s2)CC1
InChIInChI=1S/C20H19N5OS/c26-20(16-13-25-8-4-3-7-18(25)21-16)24-11-9-23(10-12-24)14-19-22-15-5-1-2-6-17(15)27-19/h1-8,13H,9-12,14H2
InChIKeyICNWAFUCLATQJY-UHFFFAOYSA-N
MW377.47 g/mol
LogP2.90
Rot. Bonds3

About [4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-imidazo[1,2-a]pyridin-2-ylmethanone

[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-imidazo[1,2-a]pyridin-2-ylmethanone (PubChem CID 42884687) has the molecular formula C20H19N5OS and a molecular weight of 377.47 g/mol. Its IUPAC name is [4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-imidazo[1,2-a]pyridin-2-ylmethanone.

Molecular Properties

Compound Name[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-imidazo[1,2-a]pyridin-2-ylmethanone
PubChem CID42884687
Molecular FormulaC20H19N5OS
Molecular Weight377.47 g/mol
Exact Mass377.13
IUPAC Name[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-imidazo[1,2-a]pyridin-2-ylmethanone
SMILESO=C(c1cn2ccccc2n1)N1CCN(Cc2nc3ccccc3s2)CC1
InChIInChI=1S/C20H19N5OS/c26-20(16-13-25-8-4-3-7-18(25)21-16)24-11-9-23(10-12-24)14-19-22-15-5-1-2-6-17(15)27-19/h1-8,13H,9-12,14H2
InChIKeyICNWAFUCLATQJY-UHFFFAOYSA-N
XLogP2.90
TPSA53.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]ethanone
CID 9238411
[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 9238002
[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-(3-pyrrol-1-ylphenyl)methanone
CID 9225941
N-[5-[4-(1,3-benzothiazol-2-ylmethyl)piperazine-1-carbonyl]thiophen-2-yl]acetamide
CID 31748019
[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-(2-methoxyphenyl)methanone
CID 9238489
[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-(3-chlorophenyl)methanone
CID 8796896
[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-(1H-indol-2-yl)methanone
CID 9225899
4-[4-(1,3-benzothiazol-2-ylmethyl)piperazine-1-carbonyl]-2H-phthalazin-1-one
CID 9070499
[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-(5-methyl-1H-pyrazol-4-yl)methanone
CID 122159174
[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-cyclopentylmethanone
CID 9238768
[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-(2-methylquinolin-4-yl)methanone
CID 9166165
[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-[4-(2-methylpropyl)phenyl]methanone
CID 8623931

Frequently Asked Questions

What is the IUPAC name of [4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-imidazo[1,2-a]pyridin-2-ylmethanone?
The IUPAC name of [4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-imidazo[1,2-a]pyridin-2-ylmethanone (CID 42884687) is [4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-imidazo[1,2-a]pyridin-2-ylmethanone.
What is the SMILES notation for [4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-imidazo[1,2-a]pyridin-2-ylmethanone?
The canonical SMILES for [4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-imidazo[1,2-a]pyridin-2-ylmethanone is O=C(c1cn2ccccc2n1)N1CCN(Cc2nc3ccccc3s2)CC1.
What is the InChIKey of [4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-imidazo[1,2-a]pyridin-2-ylmethanone?
The InChIKey is ICNWAFUCLATQJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5OS/c26-20(16-13-25-8-4-3-7-18(25)21-16)24-11-9-23(10-12-24)14-19-22-15-5-1-2-6-17(15)27-19/h1-8,13H,9-12,14H2.
What are the key properties of [4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-imidazo[1,2-a]pyridin-2-ylmethanone?
[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-imidazo[1,2-a]pyridin-2-ylmethanone has a molecular weight of 377.47 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-imidazo[1,2-a]pyridin-2-ylmethanone is sourced from PubChem (CID 42884687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).