N-(3-methoxypropyl)-2-[4-[2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetyl]piperazin-1-yl]acetamide

C22H28N4O4S2 — CID 55694016

IUPACN-(3-methoxypropyl)-2-[4-[2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetyl]piperazin-1-yl]acetamide
SMILESCOCCCNC(=O)CN1CCN(C(=O)COc2cc3sc(C)nc3c3sccc23)CC1
InChIInChI=1S/C22H28N4O4S2/c1-15-24-21-18(32-15)12-17(16-4-11-31-22(16)21)30-14-20(28)26-8-6-25(7-9-26)13-19(27)23-5-3-10-29-2/h4,11-12H,3,5-10,13-14H2,1-2H3,(H,23,27)
InChIKeyIOIJVQMQIBVUGN-UHFFFAOYSA-N
MW476.62 g/mol
LogP2.50
Rot. Bonds9

About N-(3-methoxypropyl)-2-[4-[2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetyl]piperazin-1-yl]acetamide

N-(3-methoxypropyl)-2-[4-[2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetyl]piperazin-1-yl]acetamide (PubChem CID 55694016) has the molecular formula C22H28N4O4S2 and a molecular weight of 476.62 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2-[4-[2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2-[4-[2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetyl]piperazin-1-yl]acetamide
PubChem CID55694016
Molecular FormulaC22H28N4O4S2
Molecular Weight476.62 g/mol
Exact Mass476.16
IUPAC NameN-(3-methoxypropyl)-2-[4-[2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetyl]piperazin-1-yl]acetamide
SMILESCOCCCNC(=O)CN1CCN(C(=O)COc2cc3sc(C)nc3c3sccc23)CC1
InChIInChI=1S/C22H28N4O4S2/c1-15-24-21-18(32-15)12-17(16-4-11-31-22(16)21)30-14-20(28)26-8-6-25(7-9-26)13-19(27)23-5-3-10-29-2/h4,11-12H,3,5-10,13-14H2,1-2H3,(H,23,27)
InChIKeyIOIJVQMQIBVUGN-UHFFFAOYSA-N
XLogP2.50
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.62
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(3-methoxypropyl)-2-[4-[2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetyl]piperazin-1-yl]acetamide 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-(3-methoxypropyl)-1-[2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetyl]piperidine-4-carboxamide
CID 55954715
1-(4-acetylpiperazin-1-yl)-2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyethanone
CID 51172564
N-benzyl-1-[2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetyl]piperidine-4-carboxamide
CID 46492982
N-methyl-3-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxypropan-1-amine
CID 29015348
N-(2-methoxy-2-phenylethyl)-2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetamide
CID 60543734
methyl 2-[(2-methoxy-2-oxoethyl)-[2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetyl]amino]acetate
CID 56580860
N-methyl-4-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxybutan-1-amine
CID 62451687
6-methyl-1-[2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetyl]piperidine-3-carboxamide
CID 60514412
5-bromo-N'-[2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetyl]thiophene-2-carbohydrazide
CID 55694017
N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetamide
CID 55951870
N-(2-fluoro-5-methylphenyl)-2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetamide
CID 55704458
2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxy-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]acetamide
CID 51126918

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-2-[4-[2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(3-methoxypropyl)-2-[4-[2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetyl]piperazin-1-yl]acetamide (CID 55694016) is N-(3-methoxypropyl)-2-[4-[2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(3-methoxypropyl)-2-[4-[2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(3-methoxypropyl)-2-[4-[2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetyl]piperazin-1-yl]acetamide is COCCCNC(=O)CN1CCN(C(=O)COc2cc3sc(C)nc3c3sccc23)CC1.
What is the InChIKey of N-(3-methoxypropyl)-2-[4-[2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetyl]piperazin-1-yl]acetamide?
The InChIKey is IOIJVQMQIBVUGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O4S2/c1-15-24-21-18(32-15)12-17(16-4-11-31-22(16)21)30-14-20(28)26-8-6-25(7-9-26)13-19(27)23-5-3-10-29-2/h4,11-12H,3,5-10,13-14H2,1-2H3,(H,23,27).
What are the key properties of N-(3-methoxypropyl)-2-[4-[2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetyl]piperazin-1-yl]acetamide?
N-(3-methoxypropyl)-2-[4-[2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetyl]piperazin-1-yl]acetamide has a molecular weight of 476.62 g/mol, XLogP of 2.50, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-2-[4-[2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 55694016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).