2-[(2,2-dimethyl-5-propylpiperazin-1-yl)methyl]-1,3-benzothiazole

C17H25N3S — CID 104632219

IUPAC2-[(2,2-dimethyl-5-propylpiperazin-1-yl)methyl]-1,3-benzothiazole
SMILESCCCC1CN(Cc2nc3ccccc3s2)C(C)(C)CN1
InChIInChI=1S/C17H25N3S/c1-4-7-13-10-20(17(2,3)12-18-13)11-16-19-14-8-5-6-9-15(14)21-16/h5-6,8-9,13,18H,4,7,10-12H2,1-3H3
InChIKeyQYANJUIQMYCMGB-UHFFFAOYSA-N
MW303.47 g/mol
LogP3.65
Rot. Bonds4

About 2-[(2,2-dimethyl-5-propylpiperazin-1-yl)methyl]-1,3-benzothiazole

2-[(2,2-dimethyl-5-propylpiperazin-1-yl)methyl]-1,3-benzothiazole (PubChem CID 104632219) has the molecular formula C17H25N3S and a molecular weight of 303.47 g/mol. Its IUPAC name is 2-[(2,2-dimethyl-5-propylpiperazin-1-yl)methyl]-1,3-benzothiazole.

Molecular Properties

Compound Name2-[(2,2-dimethyl-5-propylpiperazin-1-yl)methyl]-1,3-benzothiazole
PubChem CID104632219
Molecular FormulaC17H25N3S
Molecular Weight303.47 g/mol
Exact Mass303.18
IUPAC Name2-[(2,2-dimethyl-5-propylpiperazin-1-yl)methyl]-1,3-benzothiazole
SMILESCCCC1CN(Cc2nc3ccccc3s2)C(C)(C)CN1
InChIInChI=1S/C17H25N3S/c1-4-7-13-10-20(17(2,3)12-18-13)11-16-19-14-8-5-6-9-15(14)21-16/h5-6,8-9,13,18H,4,7,10-12H2,1-3H3
InChIKeyQYANJUIQMYCMGB-UHFFFAOYSA-N
XLogP3.65
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.47
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-benzothiophen-3-ylmethyl)-2,2-dimethyl-5-propylpiperazine
CID 64840548
2-[(3-methylpiperazin-1-yl)methyl]-1,3-benzothiazole
CID 65449041
2-[(2,5,5-trimethylpiperazin-1-yl)methyl]-1,3-benzothiazole
CID 104632221
5-ethyl-2,2-dimethyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine
CID 79260558
2-[(2-ethyl-5-propan-2-ylpiperazin-1-yl)methyl]-1,3-benzothiazole
CID 104632195
1-(1,3-benzothiazol-2-ylmethyl)-5,5-dimethylimidazolidine-2,4-dione
CID 104632098
1-[1-(1,3-benzothiazol-2-ylmethyl)piperidin-4-yl]-N-methylmethanamine
CID 63249392
2-[(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methyl]-1,3-benzothiazole
CID 66208368
2-[(4-bromo-3-methylpiperidin-1-yl)methyl]-1,3-benzothiazole
CID 114682379
4-(1,3-benzothiazol-2-ylmethyl)-N-methylpiperazine-2-carboxamide
CID 24733073
N-[[1-(1,3-benzothiazol-2-ylmethyl)piperidin-3-yl]methyl]propan-1-amine
CID 104631235
2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-N,N-dipropylacetamide
CID 112796921

Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-dimethyl-5-propylpiperazin-1-yl)methyl]-1,3-benzothiazole?
The IUPAC name of 2-[(2,2-dimethyl-5-propylpiperazin-1-yl)methyl]-1,3-benzothiazole (CID 104632219) is 2-[(2,2-dimethyl-5-propylpiperazin-1-yl)methyl]-1,3-benzothiazole.
What is the SMILES notation for 2-[(2,2-dimethyl-5-propylpiperazin-1-yl)methyl]-1,3-benzothiazole?
The canonical SMILES for 2-[(2,2-dimethyl-5-propylpiperazin-1-yl)methyl]-1,3-benzothiazole is CCCC1CN(Cc2nc3ccccc3s2)C(C)(C)CN1.
What is the InChIKey of 2-[(2,2-dimethyl-5-propylpiperazin-1-yl)methyl]-1,3-benzothiazole?
The InChIKey is QYANJUIQMYCMGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3S/c1-4-7-13-10-20(17(2,3)12-18-13)11-16-19-14-8-5-6-9-15(14)21-16/h5-6,8-9,13,18H,4,7,10-12H2,1-3H3.
What are the key properties of 2-[(2,2-dimethyl-5-propylpiperazin-1-yl)methyl]-1,3-benzothiazole?
2-[(2,2-dimethyl-5-propylpiperazin-1-yl)methyl]-1,3-benzothiazole has a molecular weight of 303.47 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-dimethyl-5-propylpiperazin-1-yl)methyl]-1,3-benzothiazole is sourced from PubChem (CID 104632219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).