1-(1,3-benzothiazol-2-yl)-N-[(1,4-dimethylpiperazin-2-yl)methyl]ethanamine

C16H24N4S — CID 63897986

IUPAC1-(1,3-benzothiazol-2-yl)-N-[(1,4-dimethylpiperazin-2-yl)methyl]ethanamine
SMILESCC(NCC1CN(C)CCN1C)c1nc2ccccc2s1
InChIInChI=1S/C16H24N4S/c1-12(16-18-14-6-4-5-7-15(14)21-16)17-10-13-11-19(2)8-9-20(13)3/h4-7,12-13,17H,8-11H2,1-3H3
InChIKeyDTTAUDDZTHMORH-UHFFFAOYSA-N
MW304.46 g/mol
LogP2.19
Rot. Bonds4

About 1-(1,3-benzothiazol-2-yl)-N-[(1,4-dimethylpiperazin-2-yl)methyl]ethanamine

1-(1,3-benzothiazol-2-yl)-N-[(1,4-dimethylpiperazin-2-yl)methyl]ethanamine (PubChem CID 63897986) has the molecular formula C16H24N4S and a molecular weight of 304.46 g/mol. Its IUPAC name is 1-(1,3-benzothiazol-2-yl)-N-[(1,4-dimethylpiperazin-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(1,3-benzothiazol-2-yl)-N-[(1,4-dimethylpiperazin-2-yl)methyl]ethanamine
PubChem CID63897986
Molecular FormulaC16H24N4S
Molecular Weight304.46 g/mol
Exact Mass304.17
IUPAC Name1-(1,3-benzothiazol-2-yl)-N-[(1,4-dimethylpiperazin-2-yl)methyl]ethanamine
SMILESCC(NCC1CN(C)CCN1C)c1nc2ccccc2s1
InChIInChI=1S/C16H24N4S/c1-12(16-18-14-6-4-5-7-15(14)21-16)17-10-13-11-19(2)8-9-20(13)3/h4-7,12-13,17H,8-11H2,1-3H3
InChIKeyDTTAUDDZTHMORH-UHFFFAOYSA-N
XLogP2.19
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1,3-benzothiazol-2-yl)-N-(thian-4-ylmethyl)ethanamine
CID 115719986
N-[1-(1,3-benzothiazol-2-yl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 43181788
1-(1,3-benzothiazol-2-yl)-N-(2-cyclopentylethyl)ethanamine
CID 54932145
1-(1,3-benzothiazol-2-yl)-N-[2-(cyclopropylmethoxy)ethyl]ethanamine
CID 103782827
1-[[1-(1,3-benzothiazol-2-yl)ethylamino]methyl]-N,N-dimethylcyclopentan-1-amine
CID 78914354
N-[1-(1,3-benzothiazol-2-yl)ethyl]-N'-cyclopropyl-N'-methylethane-1,2-diamine
CID 62976259
1-(1,3-benzothiazol-2-yl)-N-(2-methylsulfanylethyl)ethanamine
CID 60672734
N-[1-(1,3-benzothiazol-2-yl)ethyl]-3-methylsulfinylpropan-1-amine
CID 113261728
N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-methyl-1-thiophen-2-ylpropan-1-amine
CID 63896511
N-[1-(1,3-benzothiazol-2-yl)ethyl]-1,2-dimethylpiperidin-4-amine
CID 81345475
1-[1-(1,3-benzothiazol-2-yl)ethylamino]pentan-2-ol
CID 113261488
N-[(1,4-dimethylpiperazin-2-yl)methyl]quinolin-2-amine
CID 63896921

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzothiazol-2-yl)-N-[(1,4-dimethylpiperazin-2-yl)methyl]ethanamine?
The IUPAC name of 1-(1,3-benzothiazol-2-yl)-N-[(1,4-dimethylpiperazin-2-yl)methyl]ethanamine (CID 63897986) is 1-(1,3-benzothiazol-2-yl)-N-[(1,4-dimethylpiperazin-2-yl)methyl]ethanamine.
What is the SMILES notation for 1-(1,3-benzothiazol-2-yl)-N-[(1,4-dimethylpiperazin-2-yl)methyl]ethanamine?
The canonical SMILES for 1-(1,3-benzothiazol-2-yl)-N-[(1,4-dimethylpiperazin-2-yl)methyl]ethanamine is CC(NCC1CN(C)CCN1C)c1nc2ccccc2s1.
What is the InChIKey of 1-(1,3-benzothiazol-2-yl)-N-[(1,4-dimethylpiperazin-2-yl)methyl]ethanamine?
The InChIKey is DTTAUDDZTHMORH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4S/c1-12(16-18-14-6-4-5-7-15(14)21-16)17-10-13-11-19(2)8-9-20(13)3/h4-7,12-13,17H,8-11H2,1-3H3.
What are the key properties of 1-(1,3-benzothiazol-2-yl)-N-[(1,4-dimethylpiperazin-2-yl)methyl]ethanamine?
1-(1,3-benzothiazol-2-yl)-N-[(1,4-dimethylpiperazin-2-yl)methyl]ethanamine has a molecular weight of 304.46 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzothiazol-2-yl)-N-[(1,4-dimethylpiperazin-2-yl)methyl]ethanamine is sourced from PubChem (CID 63897986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).