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

C14H24N2OS — CID 116727681

IUPAC2-(1-methoxypropyl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
SMILESCCCNC1CCCc2nc(C(CC)OC)sc21
InChIInChI=1S/C14H24N2OS/c1-4-9-15-10-7-6-8-11-13(10)18-14(16-11)12(5-2)17-3/h10,12,15H,4-9H2,1-3H3
InChIKeyNCJWTBGRHCCIIL-UHFFFAOYSA-N
MW268.43 g/mol
LogP3.62
Rot. Bonds6

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

2-(1-methoxypropyl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (PubChem CID 116727681) has the molecular formula C14H24N2OS and a molecular weight of 268.43 g/mol. Its IUPAC name is 2-(1-methoxypropyl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine.

Molecular Properties

Compound Name2-(1-methoxypropyl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
PubChem CID116727681
Molecular FormulaC14H24N2OS
Molecular Weight268.43 g/mol
Exact Mass268.16
IUPAC Name2-(1-methoxypropyl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
SMILESCCCNC1CCCc2nc(C(CC)OC)sc21
InChIInChI=1S/C14H24N2OS/c1-4-9-15-10-7-6-8-11-13(10)18-14(16-11)12(5-2)17-3/h10,12,15H,4-9H2,1-3H3
InChIKeyNCJWTBGRHCCIIL-UHFFFAOYSA-N
XLogP3.62
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-methoxybutyl)-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 116727661
2-(1-methoxybutyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol
CID 116728212
2-butyl-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 79411549
2-N-ethyl-2-N-(2-methylbutyl)-7-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine
CID 79480500
N-ethyl-2-(2-methoxypropyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 113391637
2-(3-ethyl-1,4-dithian-2-yl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 115388340
2-ethyl-N-(2-methoxyethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 115705607
N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 62078789
2-(4,4-dimethylpiperidin-1-yl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 62931707
2-(2,6-dimethylmorpholin-4-yl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 62749698
2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 104961167
2-(3,3-dimethylmorpholin-4-yl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 62754146

Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxypropyl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
The IUPAC name of 2-(1-methoxypropyl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (CID 116727681) is 2-(1-methoxypropyl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine.
What is the SMILES notation for 2-(1-methoxypropyl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
The canonical SMILES for 2-(1-methoxypropyl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine is CCCNC1CCCc2nc(C(CC)OC)sc21.
What is the InChIKey of 2-(1-methoxypropyl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
The InChIKey is NCJWTBGRHCCIIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2OS/c1-4-9-15-10-7-6-8-11-13(10)18-14(16-11)12(5-2)17-3/h10,12,15H,4-9H2,1-3H3.
What are the key properties of 2-(1-methoxypropyl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
2-(1-methoxypropyl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine has a molecular weight of 268.43 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxypropyl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine is sourced from PubChem (CID 116727681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).