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

C15H26N2OS — CID 62541576

IUPACN-(2-methoxyethyl)-2,2-dimethyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propan-1-amine
SMILESCOCCNC(c1nc2c(s1)CCCC2)C(C)(C)C
InChIInChI=1S/C15H26N2OS/c1-15(2,3)13(16-9-10-18-4)14-17-11-7-5-6-8-12(11)19-14/h13,16H,5-10H2,1-4H3
InChIKeyPXWGEQXBNBECHN-UHFFFAOYSA-N
MW282.45 g/mol
LogP3.35
Rot. Bonds5

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

N-(2-methoxyethyl)-2,2-dimethyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propan-1-amine (PubChem CID 62541576) has the molecular formula C15H26N2OS and a molecular weight of 282.45 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2,2-dimethyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propan-1-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2,2-dimethyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propan-1-amine
PubChem CID62541576
Molecular FormulaC15H26N2OS
Molecular Weight282.45 g/mol
Exact Mass282.18
IUPAC NameN-(2-methoxyethyl)-2,2-dimethyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propan-1-amine
SMILESCOCCNC(c1nc2c(s1)CCCC2)C(C)(C)C
InChIInChI=1S/C15H26N2OS/c1-15(2,3)13(16-9-10-18-4)14-17-11-7-5-6-8-12(11)19-14/h13,16H,5-10H2,1-4H3
InChIKeyPXWGEQXBNBECHN-UHFFFAOYSA-N
XLogP3.35
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.45
LogP ≤ 53.35
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)-2,2-dimethyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propan-1-amine?
The IUPAC name of N-(2-methoxyethyl)-2,2-dimethyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propan-1-amine (CID 62541576) is N-(2-methoxyethyl)-2,2-dimethyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propan-1-amine.
What is the SMILES notation for N-(2-methoxyethyl)-2,2-dimethyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propan-1-amine?
The canonical SMILES for N-(2-methoxyethyl)-2,2-dimethyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propan-1-amine is COCCNC(c1nc2c(s1)CCCC2)C(C)(C)C.
What is the InChIKey of N-(2-methoxyethyl)-2,2-dimethyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propan-1-amine?
The InChIKey is PXWGEQXBNBECHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2OS/c1-15(2,3)13(16-9-10-18-4)14-17-11-7-5-6-8-12(11)19-14/h13,16H,5-10H2,1-4H3.
What are the key properties of N-(2-methoxyethyl)-2,2-dimethyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propan-1-amine?
N-(2-methoxyethyl)-2,2-dimethyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propan-1-amine has a molecular weight of 282.45 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2,2-dimethyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propan-1-amine is sourced from PubChem (CID 62541576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).