2-[4-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]piperazin-1-yl]-N-cyclopropylacetamide

C18H23N5O2S — CID 71901166

IUPAC2-[4-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]piperazin-1-yl]-N-cyclopropylacetamide
SMILESO=C(CN1CCN(CC(=O)NC2CC2)CC1)Nc1nc2ccccc2s1
InChIInChI=1S/C18H23N5O2S/c24-16(19-13-5-6-13)11-22-7-9-23(10-8-22)12-17(25)21-18-20-14-3-1-2-4-15(14)26-18/h1-4,13H,5-12H2,(H,19,24)(H,20,21,25)
InChIKeyRNGJOYUTAIPDDE-UHFFFAOYSA-N
MW373.48 g/mol
LogP1.13
Rot. Bonds6

About 2-[4-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]piperazin-1-yl]-N-cyclopropylacetamide

2-[4-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]piperazin-1-yl]-N-cyclopropylacetamide (PubChem CID 71901166) has the molecular formula C18H23N5O2S and a molecular weight of 373.48 g/mol. Its IUPAC name is 2-[4-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]piperazin-1-yl]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[4-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]piperazin-1-yl]-N-cyclopropylacetamide
PubChem CID71901166
Molecular FormulaC18H23N5O2S
Molecular Weight373.48 g/mol
Exact Mass373.16
IUPAC Name2-[4-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]piperazin-1-yl]-N-cyclopropylacetamide
SMILESO=C(CN1CCN(CC(=O)NC2CC2)CC1)Nc1nc2ccccc2s1
InChIInChI=1S/C18H23N5O2S/c24-16(19-13-5-6-13)11-22-7-9-23(10-8-22)12-17(25)21-18-20-14-3-1-2-4-15(14)26-18/h1-4,13H,5-12H2,(H,19,24)(H,20,21,25)
InChIKeyRNGJOYUTAIPDDE-UHFFFAOYSA-N
XLogP1.13
TPSA77.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[4-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]piperazin-1-yl]-N-cyclopropylacetamide 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-(1,3-benzothiazol-2-yl)-2-piperidin-1-ylacetamide
CID 788494
2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-N-cyclopropylacetamide
CID 34042322
N-(1,3-benzothiazol-2-yl)-2-(4-methylpiperazin-1-yl)acetamide;1-methylpiperazine
CID 160746986
N-(1,3-benzothiazol-2-yl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]acetamide
CID 51435714
N-(1,3-benzothiazol-2-yl)-2-[4-(imidazol-1-ylmethyl)piperidin-1-yl]acetamide
CID 90493777
2-(3-amino-4-methylpyrrolidin-1-yl)-N-(1,3-benzothiazol-2-yl)acetamide
CID 103576642
2-[4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]-N-(1,3-benzothiazol-2-yl)acetamide;oxalic acid
CID 71780680
N-(1,3-benzothiazol-2-yl)-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60684627
N-(1,3-benzothiazol-2-yl)-1-[2-(cyclopropylamino)-2-oxoethyl]cyclopentane-1-carboxamide
CID 9193479
N-(1,3-benzothiazol-2-yl)-2-(2-oxo-1-pyridinyl)acetamide
CID 8571610
2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide
CID 1437008
N-(1,3-benzothiazol-2-yl)-2-[4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]acetamide
CID 30486093

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]piperazin-1-yl]-N-cyclopropylacetamide?
The IUPAC name of 2-[4-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]piperazin-1-yl]-N-cyclopropylacetamide (CID 71901166) is 2-[4-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]piperazin-1-yl]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[4-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]piperazin-1-yl]-N-cyclopropylacetamide?
The canonical SMILES for 2-[4-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]piperazin-1-yl]-N-cyclopropylacetamide is O=C(CN1CCN(CC(=O)NC2CC2)CC1)Nc1nc2ccccc2s1.
What is the InChIKey of 2-[4-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]piperazin-1-yl]-N-cyclopropylacetamide?
The InChIKey is RNGJOYUTAIPDDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2S/c24-16(19-13-5-6-13)11-22-7-9-23(10-8-22)12-17(25)21-18-20-14-3-1-2-4-15(14)26-18/h1-4,13H,5-12H2,(H,19,24)(H,20,21,25).
What are the key properties of 2-[4-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]piperazin-1-yl]-N-cyclopropylacetamide?
2-[4-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]piperazin-1-yl]-N-cyclopropylacetamide has a molecular weight of 373.48 g/mol, XLogP of 1.13, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]piperazin-1-yl]-N-cyclopropylacetamide is sourced from PubChem (CID 71901166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).