1-[(2-methyl-1,3-benzothiazol-5-yl)oxy]-3-(3-methylpiperazin-1-yl)propan-2-ol

C16H23N3O2S — CID 22064269

IUPAC1-[(2-methyl-1,3-benzothiazol-5-yl)oxy]-3-(3-methylpiperazin-1-yl)propan-2-ol
SMILESCc1nc2cc(OCC(O)CN3CCNC(C)C3)ccc2s1
InChIInChI=1S/C16H23N3O2S/c1-11-8-19(6-5-17-11)9-13(20)10-21-14-3-4-16-15(7-14)18-12(2)22-16/h3-4,7,11,13,17,20H,5-6,8-10H2,1-2H3
InChIKeyOIEXCIOOXLDXDK-UHFFFAOYSA-N
MW321.45 g/mol
LogP1.64
Rot. Bonds5

About 1-[(2-methyl-1,3-benzothiazol-5-yl)oxy]-3-(3-methylpiperazin-1-yl)propan-2-ol

1-[(2-methyl-1,3-benzothiazol-5-yl)oxy]-3-(3-methylpiperazin-1-yl)propan-2-ol (PubChem CID 22064269) has the molecular formula C16H23N3O2S and a molecular weight of 321.45 g/mol. Its IUPAC name is 1-[(2-methyl-1,3-benzothiazol-5-yl)oxy]-3-(3-methylpiperazin-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-[(2-methyl-1,3-benzothiazol-5-yl)oxy]-3-(3-methylpiperazin-1-yl)propan-2-ol
PubChem CID22064269
Molecular FormulaC16H23N3O2S
Molecular Weight321.45 g/mol
Exact Mass321.15
IUPAC Name1-[(2-methyl-1,3-benzothiazol-5-yl)oxy]-3-(3-methylpiperazin-1-yl)propan-2-ol
SMILESCc1nc2cc(OCC(O)CN3CCNC(C)C3)ccc2s1
InChIInChI=1S/C16H23N3O2S/c1-11-8-19(6-5-17-11)9-13(20)10-21-14-3-4-16-15(7-14)18-12(2)22-16/h3-4,7,11,13,17,20H,5-6,8-10H2,1-2H3
InChIKeyOIEXCIOOXLDXDK-UHFFFAOYSA-N
XLogP1.64
TPSA57.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.45
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[(2-methyl-1,3-benzothiazol-5-yl)oxy]-3-(3-methylpiperazin-1-yl)propan-2-ol 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

1-(2,6-dimethylpiperazin-1-yl)-3-[(2-methyl-1,3-benzothiazol-5-yl)oxy]propan-2-ol
CID 141073166
methyl 2-[4-[(2R)-2-hydroxy-3-[(2-methyl-1,3-benzothiazol-5-yl)oxy]propyl]piperazin-1-yl]acetate
CID 58648534
1-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-3-[(2-methyl-1,3-benzothiazol-5-yl)oxy]propan-2-ol
CID 173163409
(2R)-1-[(2-methyl-1,3-benzothiazol-5-yl)oxy]-3-[4-[2-(4-phenylphenoxy)ethyl]piperazin-1-yl]propan-2-ol
CID 11397977
2-[2-[4-[(2R)-2-hydroxy-3-[(2-methyl-1,3-benzothiazol-5-yl)oxy]propyl]piperazin-1-yl]ethyl]isoindole-1,3-dione
CID 21060622
2-[4-[4-[4-[(2R)-2-hydroxy-3-[(2-methyl-1,3-benzothiazol-5-yl)oxy]propyl]piperazin-1-yl]butoxy]phenoxy]acetic acid
CID 11489435
(2R)-1-[4-[[5-(2,6-dimethylphenyl)-2,5-dihydro-1,2-oxazol-3-yl]methyl]piperazin-1-yl]-3-[(2-methyl-1,3-benzothiazol-5-yl)oxy]propan-2-ol
CID 90933399
N-(1-adamantyl)-2-[4-[(2R)-2-hydroxy-3-[(2-methyl-1,3-benzothiazol-5-yl)oxy]propyl]piperazin-1-yl]acetamide
CID 69220958
(2R)-1-[(2-methyl-1,3-benzothiazol-5-yl)oxy]-3-[(3S)-3-methyl-4-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]piperazin-1-yl]propan-2-ol
CID 10437838
N-(2-chlorophenyl)-4-[(2R)-2-hydroxy-3-[(2-methyl-1,3-benzothiazol-5-yl)oxy]propyl]piperazine-1-carbothioamide
CID 11431505
2-[4-[2-hydroxy-3-[(2-methyl-1,3-benzothiazol-5-yl)oxy]propyl]piperazin-1-yl]-N-(4-hydroxyphenyl)acetamide
CID 10276097
[(4-fluorophenyl)-[4-[(2R)-2-hydroxy-3-[(2-methyl-1,3-benzothiazol-5-yl)oxy]propyl]piperazin-1-yl]methyl]carbamothioic S-acid
CID 87824752

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methyl-1,3-benzothiazol-5-yl)oxy]-3-(3-methylpiperazin-1-yl)propan-2-ol?
The IUPAC name of 1-[(2-methyl-1,3-benzothiazol-5-yl)oxy]-3-(3-methylpiperazin-1-yl)propan-2-ol (CID 22064269) is 1-[(2-methyl-1,3-benzothiazol-5-yl)oxy]-3-(3-methylpiperazin-1-yl)propan-2-ol.
What is the SMILES notation for 1-[(2-methyl-1,3-benzothiazol-5-yl)oxy]-3-(3-methylpiperazin-1-yl)propan-2-ol?
The canonical SMILES for 1-[(2-methyl-1,3-benzothiazol-5-yl)oxy]-3-(3-methylpiperazin-1-yl)propan-2-ol is Cc1nc2cc(OCC(O)CN3CCNC(C)C3)ccc2s1.
What is the InChIKey of 1-[(2-methyl-1,3-benzothiazol-5-yl)oxy]-3-(3-methylpiperazin-1-yl)propan-2-ol?
The InChIKey is OIEXCIOOXLDXDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2S/c1-11-8-19(6-5-17-11)9-13(20)10-21-14-3-4-16-15(7-14)18-12(2)22-16/h3-4,7,11,13,17,20H,5-6,8-10H2,1-2H3.
What are the key properties of 1-[(2-methyl-1,3-benzothiazol-5-yl)oxy]-3-(3-methylpiperazin-1-yl)propan-2-ol?
1-[(2-methyl-1,3-benzothiazol-5-yl)oxy]-3-(3-methylpiperazin-1-yl)propan-2-ol has a molecular weight of 321.45 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methyl-1,3-benzothiazol-5-yl)oxy]-3-(3-methylpiperazin-1-yl)propan-2-ol is sourced from PubChem (CID 22064269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).