6-[1-(dipropylamino)ethyl]-3H-1,3-benzothiazol-2-one

C15H22N2OS — CID 19437855

IUPAC6-[1-(dipropylamino)ethyl]-3H-1,3-benzothiazol-2-one
SMILESCCCN(CCC)C(C)c1ccc2[nH]c(=O)sc2c1
InChIInChI=1S/C15H22N2OS/c1-4-8-17(9-5-2)11(3)12-6-7-13-14(10-12)19-15(18)16-13/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,16,18)
InChIKeyBELBXLHLBDNSGS-UHFFFAOYSA-N
MW278.42 g/mol
LogP3.77
Rot. Bonds6

About 6-[1-(dipropylamino)ethyl]-3H-1,3-benzothiazol-2-one

6-[1-(dipropylamino)ethyl]-3H-1,3-benzothiazol-2-one (PubChem CID 19437855) has the molecular formula C15H22N2OS and a molecular weight of 278.42 g/mol. Its IUPAC name is 6-[1-(dipropylamino)ethyl]-3H-1,3-benzothiazol-2-one.

Molecular Properties

Compound Name6-[1-(dipropylamino)ethyl]-3H-1,3-benzothiazol-2-one
PubChem CID19437855
Molecular FormulaC15H22N2OS
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC Name6-[1-(dipropylamino)ethyl]-3H-1,3-benzothiazol-2-one
SMILESCCCN(CCC)C(C)c1ccc2[nH]c(=O)sc2c1
InChIInChI=1S/C15H22N2OS/c1-4-8-17(9-5-2)11(3)12-6-7-13-14(10-12)19-15(18)16-13/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,16,18)
InChIKeyBELBXLHLBDNSGS-UHFFFAOYSA-N
XLogP3.77
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[1-(dipropylamino)ethyl]-3H-1,3-benzothiazol-2-one?
The IUPAC name of 6-[1-(dipropylamino)ethyl]-3H-1,3-benzothiazol-2-one (CID 19437855) is 6-[1-(dipropylamino)ethyl]-3H-1,3-benzothiazol-2-one.
What is the SMILES notation for 6-[1-(dipropylamino)ethyl]-3H-1,3-benzothiazol-2-one?
The canonical SMILES for 6-[1-(dipropylamino)ethyl]-3H-1,3-benzothiazol-2-one is CCCN(CCC)C(C)c1ccc2[nH]c(=O)sc2c1.
What is the InChIKey of 6-[1-(dipropylamino)ethyl]-3H-1,3-benzothiazol-2-one?
The InChIKey is BELBXLHLBDNSGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OS/c1-4-8-17(9-5-2)11(3)12-6-7-13-14(10-12)19-15(18)16-13/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,16,18).
What are the key properties of 6-[1-(dipropylamino)ethyl]-3H-1,3-benzothiazol-2-one?
6-[1-(dipropylamino)ethyl]-3H-1,3-benzothiazol-2-one has a molecular weight of 278.42 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(dipropylamino)ethyl]-3H-1,3-benzothiazol-2-one is sourced from PubChem (CID 19437855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).