4-(2,3-dihydro-1,3-benzothiazol-2-yl)-N,N-diethylaniline

C17H20N2S — CID 4168985

IUPAC4-(2,3-dihydro-1,3-benzothiazol-2-yl)-N,N-diethylaniline
SMILESCCN(CC)c1ccc(C2Nc3ccccc3S2)cc1
InChIInChI=1S/C17H20N2S/c1-3-19(4-2)14-11-9-13(10-12-14)17-18-15-7-5-6-8-16(15)20-17/h5-12,17-18H,3-4H2,1-2H3
InChIKeyPZDAADHPGBTCCU-UHFFFAOYSA-N
MW284.43 g/mol
LogP4.75
Rot. Bonds4

About 4-(2,3-dihydro-1,3-benzothiazol-2-yl)-N,N-diethylaniline

4-(2,3-dihydro-1,3-benzothiazol-2-yl)-N,N-diethylaniline (PubChem CID 4168985) has the molecular formula C17H20N2S and a molecular weight of 284.43 g/mol. Its IUPAC name is 4-(2,3-dihydro-1,3-benzothiazol-2-yl)-N,N-diethylaniline.

Molecular Properties

Compound Name4-(2,3-dihydro-1,3-benzothiazol-2-yl)-N,N-diethylaniline
PubChem CID4168985
Molecular FormulaC17H20N2S
Molecular Weight284.43 g/mol
Exact Mass284.13
IUPAC Name4-(2,3-dihydro-1,3-benzothiazol-2-yl)-N,N-diethylaniline
SMILESCCN(CC)c1ccc(C2Nc3ccccc3S2)cc1
InChIInChI=1S/C17H20N2S/c1-3-19(4-2)14-11-9-13(10-12-14)17-18-15-7-5-6-8-16(15)20-17/h5-12,17-18H,3-4H2,1-2H3
InChIKeyPZDAADHPGBTCCU-UHFFFAOYSA-N
XLogP4.75
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1,3-benzothiazol-2-yl)-N,N-diethylaniline?
The IUPAC name of 4-(2,3-dihydro-1,3-benzothiazol-2-yl)-N,N-diethylaniline (CID 4168985) is 4-(2,3-dihydro-1,3-benzothiazol-2-yl)-N,N-diethylaniline.
What is the SMILES notation for 4-(2,3-dihydro-1,3-benzothiazol-2-yl)-N,N-diethylaniline?
The canonical SMILES for 4-(2,3-dihydro-1,3-benzothiazol-2-yl)-N,N-diethylaniline is CCN(CC)c1ccc(C2Nc3ccccc3S2)cc1.
What is the InChIKey of 4-(2,3-dihydro-1,3-benzothiazol-2-yl)-N,N-diethylaniline?
The InChIKey is PZDAADHPGBTCCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2S/c1-3-19(4-2)14-11-9-13(10-12-14)17-18-15-7-5-6-8-16(15)20-17/h5-12,17-18H,3-4H2,1-2H3.
What are the key properties of 4-(2,3-dihydro-1,3-benzothiazol-2-yl)-N,N-diethylaniline?
4-(2,3-dihydro-1,3-benzothiazol-2-yl)-N,N-diethylaniline has a molecular weight of 284.43 g/mol, XLogP of 4.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1,3-benzothiazol-2-yl)-N,N-diethylaniline is sourced from PubChem (CID 4168985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).