3-[6-(diethylaminomethyl)-1,3-benzothiazol-2-yl]propan-1-amine

C15H23N3S — CID 39107354

IUPAC3-[6-(diethylaminomethyl)-1,3-benzothiazol-2-yl]propan-1-amine
SMILESCCN(CC)Cc1ccc2nc(CCCN)sc2c1
InChIInChI=1S/C15H23N3S/c1-3-18(4-2)11-12-7-8-13-14(10-12)19-15(17-13)6-5-9-16/h7-8,10H,3-6,9,11,16H2,1-2H3
InChIKeyKJRGYDOXDQHWNM-UHFFFAOYSA-N
MW277.44 g/mol
LogP3.03
Rot. Bonds7

About 3-[6-(diethylaminomethyl)-1,3-benzothiazol-2-yl]propan-1-amine

3-[6-(diethylaminomethyl)-1,3-benzothiazol-2-yl]propan-1-amine (PubChem CID 39107354) has the molecular formula C15H23N3S and a molecular weight of 277.44 g/mol. Its IUPAC name is 3-[6-(diethylaminomethyl)-1,3-benzothiazol-2-yl]propan-1-amine.

Molecular Properties

Compound Name3-[6-(diethylaminomethyl)-1,3-benzothiazol-2-yl]propan-1-amine
PubChem CID39107354
Molecular FormulaC15H23N3S
Molecular Weight277.44 g/mol
Exact Mass277.16
IUPAC Name3-[6-(diethylaminomethyl)-1,3-benzothiazol-2-yl]propan-1-amine
SMILESCCN(CC)Cc1ccc2nc(CCCN)sc2c1
InChIInChI=1S/C15H23N3S/c1-3-18(4-2)11-12-7-8-13-14(10-12)19-15(17-13)6-5-9-16/h7-8,10H,3-6,9,11,16H2,1-2H3
InChIKeyKJRGYDOXDQHWNM-UHFFFAOYSA-N
XLogP3.03
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.44
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(aminomethyl)-1,3-benzothiazol-6-yl]methyl]-N-ethylethanamine
CID 39106454
3-(2-ethyl-1,3-benzothiazol-6-yl)propan-1-amine
CID 45095376
(2-octyl-1,3-benzothiazol-6-yl)methanamine
CID 143097455
3-(6-ethoxy-1,3-benzothiazol-2-yl)propan-1-amine
CID 39106663
2-(3-aminopropyl)-1,3-benzothiazol-6-ol
CID 39106581
3-(6-fluoro-1,3-benzothiazol-2-yl)propan-1-amine
CID 39106695
3-(6-methylsulfonyl-1,3-benzothiazol-2-yl)propan-1-amine
CID 39106904
3-(6-hexoxy-1,3-benzothiazol-2-yl)propan-1-amine
CID 39107285
3-(2-methyl-1,3-benzothiazol-6-yl)propan-1-amine
CID 45097023
3-[(2-butyl-1,3-benzothiazol-6-yl)oxy]propan-1-amine
CID 82189964
6-[(dipropylamino)methyl]-1,3-benzothiazol-2-amine
CID 65348790
2-(6-methoxy-1,3-benzothiazol-2-yl)ethanamine
CID 39106649

Frequently Asked Questions

What is the IUPAC name of 3-[6-(diethylaminomethyl)-1,3-benzothiazol-2-yl]propan-1-amine?
The IUPAC name of 3-[6-(diethylaminomethyl)-1,3-benzothiazol-2-yl]propan-1-amine (CID 39107354) is 3-[6-(diethylaminomethyl)-1,3-benzothiazol-2-yl]propan-1-amine.
What is the SMILES notation for 3-[6-(diethylaminomethyl)-1,3-benzothiazol-2-yl]propan-1-amine?
The canonical SMILES for 3-[6-(diethylaminomethyl)-1,3-benzothiazol-2-yl]propan-1-amine is CCN(CC)Cc1ccc2nc(CCCN)sc2c1.
What is the InChIKey of 3-[6-(diethylaminomethyl)-1,3-benzothiazol-2-yl]propan-1-amine?
The InChIKey is KJRGYDOXDQHWNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3S/c1-3-18(4-2)11-12-7-8-13-14(10-12)19-15(17-13)6-5-9-16/h7-8,10H,3-6,9,11,16H2,1-2H3.
What are the key properties of 3-[6-(diethylaminomethyl)-1,3-benzothiazol-2-yl]propan-1-amine?
3-[6-(diethylaminomethyl)-1,3-benzothiazol-2-yl]propan-1-amine has a molecular weight of 277.44 g/mol, XLogP of 3.03, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(diethylaminomethyl)-1,3-benzothiazol-2-yl]propan-1-amine is sourced from PubChem (CID 39107354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).