1-(1,3-benzothiazol-2-yl)-N-[2-(cyclopropylmethoxy)ethyl]ethanamine

C15H20N2OS — CID 103782827

IUPAC1-(1,3-benzothiazol-2-yl)-N-[2-(cyclopropylmethoxy)ethyl]ethanamine
SMILESCC(NCCOCC1CC1)c1nc2ccccc2s1
InChIInChI=1S/C15H20N2OS/c1-11(16-8-9-18-10-12-6-7-12)15-17-13-4-2-3-5-14(13)19-15/h2-5,11-12,16H,6-10H2,1H3
InChIKeyQAAQQTNUNPMMRU-UHFFFAOYSA-N
MW276.40 g/mol
LogP3.37
Rot. Bonds7

About 1-(1,3-benzothiazol-2-yl)-N-[2-(cyclopropylmethoxy)ethyl]ethanamine

1-(1,3-benzothiazol-2-yl)-N-[2-(cyclopropylmethoxy)ethyl]ethanamine (PubChem CID 103782827) has the molecular formula C15H20N2OS and a molecular weight of 276.40 g/mol. Its IUPAC name is 1-(1,3-benzothiazol-2-yl)-N-[2-(cyclopropylmethoxy)ethyl]ethanamine.

Molecular Properties

Compound Name1-(1,3-benzothiazol-2-yl)-N-[2-(cyclopropylmethoxy)ethyl]ethanamine
PubChem CID103782827
Molecular FormulaC15H20N2OS
Molecular Weight276.40 g/mol
Exact Mass276.13
IUPAC Name1-(1,3-benzothiazol-2-yl)-N-[2-(cyclopropylmethoxy)ethyl]ethanamine
SMILESCC(NCCOCC1CC1)c1nc2ccccc2s1
InChIInChI=1S/C15H20N2OS/c1-11(16-8-9-18-10-12-6-7-12)15-17-13-4-2-3-5-14(13)19-15/h2-5,11-12,16H,6-10H2,1H3
InChIKeyQAAQQTNUNPMMRU-UHFFFAOYSA-N
XLogP3.37
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(1,3-benzothiazol-2-yl)-N-[2-(2-methylpropoxy)ethyl]ethanamine
CID 115713749
1-(1,3-benzothiazol-2-yl)-N-(2-cyclopentylethyl)ethanamine
CID 54932145
1-(1,3-benzothiazol-2-yl)-N-(thian-4-ylmethyl)ethanamine
CID 115719986
N-[2-(cyclopropylmethoxy)ethyl]-1-phenylethanamine
CID 115638914
N-(1,3-benzothiazol-2-ylmethyl)-2-(cyclopropylmethoxy)ethanamine
CID 114097893
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
1-(2-bromophenyl)-N-[2-(cyclopropylmethoxy)ethyl]ethanamine
CID 113234990
N-[1-(1,3-benzothiazol-2-yl)ethyl]-N',N'-dimethylpropane-1,3-diamine
CID 43179013
N-[1-(1,3-benzothiazol-2-yl)ethyl]-3-methylsulfinylpropan-1-amine
CID 113261728
2-[1-[2-(cyclopropylmethoxy)ethylamino]ethyl]naphthalen-1-ol
CID 104582361
N-[1-(1,3-benzothiazol-2-yl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 43181788

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzothiazol-2-yl)-N-[2-(cyclopropylmethoxy)ethyl]ethanamine?
The IUPAC name of 1-(1,3-benzothiazol-2-yl)-N-[2-(cyclopropylmethoxy)ethyl]ethanamine (CID 103782827) is 1-(1,3-benzothiazol-2-yl)-N-[2-(cyclopropylmethoxy)ethyl]ethanamine.
What is the SMILES notation for 1-(1,3-benzothiazol-2-yl)-N-[2-(cyclopropylmethoxy)ethyl]ethanamine?
The canonical SMILES for 1-(1,3-benzothiazol-2-yl)-N-[2-(cyclopropylmethoxy)ethyl]ethanamine is CC(NCCOCC1CC1)c1nc2ccccc2s1.
What is the InChIKey of 1-(1,3-benzothiazol-2-yl)-N-[2-(cyclopropylmethoxy)ethyl]ethanamine?
The InChIKey is QAAQQTNUNPMMRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-11(16-8-9-18-10-12-6-7-12)15-17-13-4-2-3-5-14(13)19-15/h2-5,11-12,16H,6-10H2,1H3.
What are the key properties of 1-(1,3-benzothiazol-2-yl)-N-[2-(cyclopropylmethoxy)ethyl]ethanamine?
1-(1,3-benzothiazol-2-yl)-N-[2-(cyclopropylmethoxy)ethyl]ethanamine has a molecular weight of 276.40 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzothiazol-2-yl)-N-[2-(cyclopropylmethoxy)ethyl]ethanamine is sourced from PubChem (CID 103782827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).