2-[4-(2,3-dihydro-1,3-benzothiazol-2-yl)phenoxy]-N,N-diethylethanamine

C19H24N2OS — CID 3006708

IUPAC2-[4-(2,3-dihydro-1,3-benzothiazol-2-yl)phenoxy]-N,N-diethylethanamine
SMILESCCN(CC)CCOc1ccc(C2Nc3ccccc3S2)cc1
InChIInChI=1S/C19H24N2OS/c1-3-21(4-2)13-14-22-16-11-9-15(10-12-16)19-20-17-7-5-6-8-18(17)23-19/h5-12,19-20H,3-4,13-14H2,1-2H3
InChIKeyIAJIRDZTLQHGDR-UHFFFAOYSA-N
MW328.48 g/mol
LogP4.62
Rot. Bonds7

About 2-[4-(2,3-dihydro-1,3-benzothiazol-2-yl)phenoxy]-N,N-diethylethanamine

2-[4-(2,3-dihydro-1,3-benzothiazol-2-yl)phenoxy]-N,N-diethylethanamine (PubChem CID 3006708) has the molecular formula C19H24N2OS and a molecular weight of 328.48 g/mol. Its IUPAC name is 2-[4-(2,3-dihydro-1,3-benzothiazol-2-yl)phenoxy]-N,N-diethylethanamine.

Molecular Properties

Compound Name2-[4-(2,3-dihydro-1,3-benzothiazol-2-yl)phenoxy]-N,N-diethylethanamine
PubChem CID3006708
Molecular FormulaC19H24N2OS
Molecular Weight328.48 g/mol
Exact Mass328.16
IUPAC Name2-[4-(2,3-dihydro-1,3-benzothiazol-2-yl)phenoxy]-N,N-diethylethanamine
SMILESCCN(CC)CCOc1ccc(C2Nc3ccccc3S2)cc1
InChIInChI=1S/C19H24N2OS/c1-3-21(4-2)13-14-22-16-11-9-15(10-12-16)19-20-17-7-5-6-8-18(17)23-19/h5-12,19-20H,3-4,13-14H2,1-2H3
InChIKeyIAJIRDZTLQHGDR-UHFFFAOYSA-N
XLogP4.62
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.48
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,3-dihydro-1,3-benzothiazol-2-yl)phenoxy]-N,N-diethylethanamine?
The IUPAC name of 2-[4-(2,3-dihydro-1,3-benzothiazol-2-yl)phenoxy]-N,N-diethylethanamine (CID 3006708) is 2-[4-(2,3-dihydro-1,3-benzothiazol-2-yl)phenoxy]-N,N-diethylethanamine.
What is the SMILES notation for 2-[4-(2,3-dihydro-1,3-benzothiazol-2-yl)phenoxy]-N,N-diethylethanamine?
The canonical SMILES for 2-[4-(2,3-dihydro-1,3-benzothiazol-2-yl)phenoxy]-N,N-diethylethanamine is CCN(CC)CCOc1ccc(C2Nc3ccccc3S2)cc1.
What is the InChIKey of 2-[4-(2,3-dihydro-1,3-benzothiazol-2-yl)phenoxy]-N,N-diethylethanamine?
The InChIKey is IAJIRDZTLQHGDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2OS/c1-3-21(4-2)13-14-22-16-11-9-15(10-12-16)19-20-17-7-5-6-8-18(17)23-19/h5-12,19-20H,3-4,13-14H2,1-2H3.
What are the key properties of 2-[4-(2,3-dihydro-1,3-benzothiazol-2-yl)phenoxy]-N,N-diethylethanamine?
2-[4-(2,3-dihydro-1,3-benzothiazol-2-yl)phenoxy]-N,N-diethylethanamine has a molecular weight of 328.48 g/mol, XLogP of 4.62, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,3-dihydro-1,3-benzothiazol-2-yl)phenoxy]-N,N-diethylethanamine is sourced from PubChem (CID 3006708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).