2-methoxy-N-[(6-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]ethanamine

C14H24N2OS — CID 62703728

IUPAC2-methoxy-N-[(6-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]ethanamine
SMILESCOCCNCc1nc2c(s1)CC(C(C)C)CC2
InChIInChI=1S/C14H24N2OS/c1-10(2)11-4-5-12-13(8-11)18-14(16-12)9-15-6-7-17-3/h10-11,15H,4-9H2,1-3H3
InChIKeyMCSGJLDKYTZDRW-UHFFFAOYSA-N
MW268.43 g/mol
LogP2.64
Rot. Bonds6

About 2-methoxy-N-[(6-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]ethanamine

2-methoxy-N-[(6-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]ethanamine (PubChem CID 62703728) has the molecular formula C14H24N2OS and a molecular weight of 268.43 g/mol. Its IUPAC name is 2-methoxy-N-[(6-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[(6-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]ethanamine
PubChem CID62703728
Molecular FormulaC14H24N2OS
Molecular Weight268.43 g/mol
Exact Mass268.16
IUPAC Name2-methoxy-N-[(6-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]ethanamine
SMILESCOCCNCc1nc2c(s1)CC(C(C)C)CC2
InChIInChI=1S/C14H24N2OS/c1-10(2)11-4-5-12-13(8-11)18-14(16-12)9-15-6-7-17-3/h10-11,15H,4-9H2,1-3H3
InChIKeyMCSGJLDKYTZDRW-UHFFFAOYSA-N
XLogP2.64
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 ≤ 52.64
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 2-methoxy-N-[(6-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[(6-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]ethanamine (CID 62703728) is 2-methoxy-N-[(6-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[(6-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[(6-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]ethanamine is COCCNCc1nc2c(s1)CC(C(C)C)CC2.
What is the InChIKey of 2-methoxy-N-[(6-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]ethanamine?
The InChIKey is MCSGJLDKYTZDRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2OS/c1-10(2)11-4-5-12-13(8-11)18-14(16-12)9-15-6-7-17-3/h10-11,15H,4-9H2,1-3H3.
What are the key properties of 2-methoxy-N-[(6-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]ethanamine?
2-methoxy-N-[(6-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]ethanamine has a molecular weight of 268.43 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(6-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]ethanamine is sourced from PubChem (CID 62703728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).