N-ethyl-2-(2-methoxypropyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine

C13H22N2OS — CID 113391637

IUPACN-ethyl-2-(2-methoxypropyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
SMILESCCNC1CCCc2nc(CC(C)OC)sc21
InChIInChI=1S/C13H22N2OS/c1-4-14-10-6-5-7-11-13(10)17-12(15-11)8-9(2)16-3/h9-10,14H,4-8H2,1-3H3
InChIKeyWLWYCNBFLXOMKG-UHFFFAOYSA-N
MW254.40 g/mol
LogP2.71
Rot. Bonds5

About N-ethyl-2-(2-methoxypropyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine

N-ethyl-2-(2-methoxypropyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (PubChem CID 113391637) has the molecular formula C13H22N2OS and a molecular weight of 254.40 g/mol. Its IUPAC name is N-ethyl-2-(2-methoxypropyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine.

Molecular Properties

Compound NameN-ethyl-2-(2-methoxypropyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
PubChem CID113391637
Molecular FormulaC13H22N2OS
Molecular Weight254.40 g/mol
Exact Mass254.15
IUPAC NameN-ethyl-2-(2-methoxypropyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
SMILESCCNC1CCCc2nc(CC(C)OC)sc21
InChIInChI=1S/C13H22N2OS/c1-4-14-10-6-5-7-11-13(10)17-12(15-11)8-9(2)16-3/h9-10,14H,4-8H2,1-3H3
InChIKeyWLWYCNBFLXOMKG-UHFFFAOYSA-N
XLogP2.71
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-N-ethyl-2-N-(1-methoxypropan-2-yl)-2-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine
CID 62753047
2-ethyl-N-(2-methoxyethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 115705607
7-N-ethyl-2-N,2-N-bis(2-methylpropyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine
CID 63512877
2-[(4-bromophenyl)methyl]-N-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 62080236
2-(2-methoxypropyl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
CID 113391642
2-(1-methoxypropyl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 116727681
N-ethyl-2-(1-methylpyrazol-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 62091832
2-butyl-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 79411549
2-[(3-bromophenyl)methyl]-N-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 62080238
2-[(3-chloro-2-fluorophenyl)methyl]-N-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 82790267
N-ethyl-2-[3-(methoxymethyl)piperidin-1-yl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 106589570
2-(4-chlorophenyl)-N-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 62080069

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(2-methoxypropyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
The IUPAC name of N-ethyl-2-(2-methoxypropyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (CID 113391637) is N-ethyl-2-(2-methoxypropyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine.
What is the SMILES notation for N-ethyl-2-(2-methoxypropyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
The canonical SMILES for N-ethyl-2-(2-methoxypropyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine is CCNC1CCCc2nc(CC(C)OC)sc21.
What is the InChIKey of N-ethyl-2-(2-methoxypropyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
The InChIKey is WLWYCNBFLXOMKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2OS/c1-4-14-10-6-5-7-11-13(10)17-12(15-11)8-9(2)16-3/h9-10,14H,4-8H2,1-3H3.
What are the key properties of N-ethyl-2-(2-methoxypropyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
N-ethyl-2-(2-methoxypropyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine has a molecular weight of 254.40 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(2-methoxypropyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine is sourced from PubChem (CID 113391637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).