N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]acetamide

C19H29N5O3S — CID 134136853

IUPACN-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]acetamide
SMILESCOc1cc2nc(NC(=O)CN3CCN(CCN(C)C)CC3)sc2cc1OC
InChIInChI=1S/C19H29N5O3S/c1-22(2)5-6-23-7-9-24(10-8-23)13-18(25)21-19-20-14-11-15(26-3)16(27-4)12-17(14)28-19/h11-12H,5-10,13H2,1-4H3,(H,20,21,25)
InChIKeyVQMVCYGNQKOARP-UHFFFAOYSA-N
MW407.54 g/mol
LogP1.43
Rot. Bonds8

About N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]acetamide

N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]acetamide (PubChem CID 134136853) has the molecular formula C19H29N5O3S and a molecular weight of 407.54 g/mol. Its IUPAC name is N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]acetamide
PubChem CID134136853
Molecular FormulaC19H29N5O3S
Molecular Weight407.54 g/mol
Exact Mass407.20
IUPAC NameN-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]acetamide
SMILESCOc1cc2nc(NC(=O)CN3CCN(CCN(C)C)CC3)sc2cc1OC
InChIInChI=1S/C19H29N5O3S/c1-22(2)5-6-23-7-9-24(10-8-23)13-18(25)21-19-20-14-11-15(26-3)16(27-4)12-17(14)28-19/h11-12H,5-10,13H2,1-4H3,(H,20,21,25)
InChIKeyVQMVCYGNQKOARP-UHFFFAOYSA-N
XLogP1.43
TPSA70.17 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.54
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-2-[4-[2-(dimethylamino)ethyl]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

Frequently Asked Questions

What is the IUPAC name of N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]acetamide (CID 134136853) is N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]acetamide is COc1cc2nc(NC(=O)CN3CCN(CCN(C)C)CC3)sc2cc1OC.
What is the InChIKey of N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]acetamide?
The InChIKey is VQMVCYGNQKOARP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O3S/c1-22(2)5-6-23-7-9-24(10-8-23)13-18(25)21-19-20-14-11-15(26-3)16(27-4)12-17(14)28-19/h11-12H,5-10,13H2,1-4H3,(H,20,21,25).
What are the key properties of N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]acetamide?
N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]acetamide has a molecular weight of 407.54 g/mol, XLogP of 1.43, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 134136853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).