N-(2-methoxyethyl)-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)butan-1-amine

C14H24N2OS — CID 62541730

IUPACN-(2-methoxyethyl)-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)butan-1-amine
SMILESCCCC(NCCOC)c1nc2c(s1)CCCC2
InChIInChI=1S/C14H24N2OS/c1-3-6-12(15-9-10-17-2)14-16-11-7-4-5-8-13(11)18-14/h12,15H,3-10H2,1-2H3
InChIKeyZSASAPLWUFSBIO-UHFFFAOYSA-N
MW268.43 g/mol
LogP3.10
Rot. Bonds7

About N-(2-methoxyethyl)-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)butan-1-amine

N-(2-methoxyethyl)-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)butan-1-amine (PubChem CID 62541730) has the molecular formula C14H24N2OS and a molecular weight of 268.43 g/mol. Its IUPAC name is N-(2-methoxyethyl)-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)butan-1-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)butan-1-amine
PubChem CID62541730
Molecular FormulaC14H24N2OS
Molecular Weight268.43 g/mol
Exact Mass268.16
IUPAC NameN-(2-methoxyethyl)-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)butan-1-amine
SMILESCCCC(NCCOC)c1nc2c(s1)CCCC2
InChIInChI=1S/C14H24N2OS/c1-3-6-12(15-9-10-17-2)14-16-11-7-4-5-8-13(11)18-14/h12,15H,3-10H2,1-2H3
InChIKeyZSASAPLWUFSBIO-UHFFFAOYSA-N
XLogP3.10
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 53.10
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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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)butan-1-amine?
The IUPAC name of N-(2-methoxyethyl)-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)butan-1-amine (CID 62541730) is N-(2-methoxyethyl)-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)butan-1-amine.
What is the SMILES notation for N-(2-methoxyethyl)-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)butan-1-amine?
The canonical SMILES for N-(2-methoxyethyl)-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)butan-1-amine is CCCC(NCCOC)c1nc2c(s1)CCCC2.
What is the InChIKey of N-(2-methoxyethyl)-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)butan-1-amine?
The InChIKey is ZSASAPLWUFSBIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2OS/c1-3-6-12(15-9-10-17-2)14-16-11-7-4-5-8-13(11)18-14/h12,15H,3-10H2,1-2H3.
What are the key properties of N-(2-methoxyethyl)-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)butan-1-amine?
N-(2-methoxyethyl)-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)butan-1-amine has a molecular weight of 268.43 g/mol, XLogP of 3.10, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)butan-1-amine is sourced from PubChem (CID 62541730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).