2-[3-(dimethylamino)pyrrolidin-1-yl]-N-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine

C15H26N4S — CID 63168246

IUPAC2-[3-(dimethylamino)pyrrolidin-1-yl]-N-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
SMILESCCNC1CCCc2nc(N3CCC(N(C)C)C3)sc21
InChIInChI=1S/C15H26N4S/c1-4-16-12-6-5-7-13-14(12)20-15(17-13)19-9-8-11(10-19)18(2)3/h11-12,16H,4-10H2,1-3H3
InChIKeyQOZUUNFMNCPVQU-UHFFFAOYSA-N
MW294.47 g/mol
LogP2.27
Rot. Bonds4

About 2-[3-(dimethylamino)pyrrolidin-1-yl]-N-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine

2-[3-(dimethylamino)pyrrolidin-1-yl]-N-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (PubChem CID 63168246) has the molecular formula C15H26N4S and a molecular weight of 294.47 g/mol. Its IUPAC name is 2-[3-(dimethylamino)pyrrolidin-1-yl]-N-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine.

Molecular Properties

Compound Name2-[3-(dimethylamino)pyrrolidin-1-yl]-N-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
PubChem CID63168246
Molecular FormulaC15H26N4S
Molecular Weight294.47 g/mol
Exact Mass294.19
IUPAC Name2-[3-(dimethylamino)pyrrolidin-1-yl]-N-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
SMILESCCNC1CCCc2nc(N3CCC(N(C)C)C3)sc21
InChIInChI=1S/C15H26N4S/c1-4-16-12-6-5-7-13-14(12)20-15(17-13)19-9-8-11(10-19)18(2)3/h11-12,16H,4-10H2,1-3H3
InChIKeyQOZUUNFMNCPVQU-UHFFFAOYSA-N
XLogP2.27
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.47
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[3-(dimethylamino)pyrrolidin-1-yl]-N-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine with MolForge

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Related Compounds

2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 79933484
N-ethyl-2-[3-(methoxymethyl)piperidin-1-yl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 106589570
2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 62752126
4-[7-(ethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]piperazine-2,6-dione
CID 66063765
2-(1,3-dihydroisoindol-2-yl)-N-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 62752674
4-[7-(ethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]piperazin-2-one
CID 55112004
N-ethyl-2-(2-ethylpiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 62750084
2-(4,4-dimethylpiperidin-1-yl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 62931707
2-[3-(diethylamino)pyrrolidin-1-yl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol
CID 63512716
2-(4-methylazepan-1-yl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 63625787
2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 62750280
2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 104961167

Frequently Asked Questions

What is the IUPAC name of 2-[3-(dimethylamino)pyrrolidin-1-yl]-N-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
The IUPAC name of 2-[3-(dimethylamino)pyrrolidin-1-yl]-N-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (CID 63168246) is 2-[3-(dimethylamino)pyrrolidin-1-yl]-N-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine.
What is the SMILES notation for 2-[3-(dimethylamino)pyrrolidin-1-yl]-N-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
The canonical SMILES for 2-[3-(dimethylamino)pyrrolidin-1-yl]-N-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine is CCNC1CCCc2nc(N3CCC(N(C)C)C3)sc21.
What is the InChIKey of 2-[3-(dimethylamino)pyrrolidin-1-yl]-N-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
The InChIKey is QOZUUNFMNCPVQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4S/c1-4-16-12-6-5-7-13-14(12)20-15(17-13)19-9-8-11(10-19)18(2)3/h11-12,16H,4-10H2,1-3H3.
What are the key properties of 2-[3-(dimethylamino)pyrrolidin-1-yl]-N-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
2-[3-(dimethylamino)pyrrolidin-1-yl]-N-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine has a molecular weight of 294.47 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dimethylamino)pyrrolidin-1-yl]-N-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine is sourced from PubChem (CID 63168246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).