6-[2-[3-aminopropyl(methyl)amino]ethyl]-3-methyl-1,3-benzothiazol-2-one

C14H21N3OS — CID 19092101

IUPAC6-[2-[3-aminopropyl(methyl)amino]ethyl]-3-methyl-1,3-benzothiazol-2-one
SMILESCN(CCCN)CCc1ccc2c(c1)sc(=O)n2C
InChIInChI=1S/C14H21N3OS/c1-16(8-3-7-15)9-6-11-4-5-12-13(10-11)19-14(18)17(12)2/h4-5,10H,3,6-9,15H2,1-2H3
InChIKeyMOYULDDOSWSWAT-UHFFFAOYSA-N
MW279.41 g/mol
LogP1.42
Rot. Bonds6

About 6-[2-[3-aminopropyl(methyl)amino]ethyl]-3-methyl-1,3-benzothiazol-2-one

6-[2-[3-aminopropyl(methyl)amino]ethyl]-3-methyl-1,3-benzothiazol-2-one (PubChem CID 19092101) has the molecular formula C14H21N3OS and a molecular weight of 279.41 g/mol. Its IUPAC name is 6-[2-[3-aminopropyl(methyl)amino]ethyl]-3-methyl-1,3-benzothiazol-2-one.

Molecular Properties

Compound Name6-[2-[3-aminopropyl(methyl)amino]ethyl]-3-methyl-1,3-benzothiazol-2-one
PubChem CID19092101
Molecular FormulaC14H21N3OS
Molecular Weight279.41 g/mol
Exact Mass279.14
IUPAC Name6-[2-[3-aminopropyl(methyl)amino]ethyl]-3-methyl-1,3-benzothiazol-2-one
SMILESCN(CCCN)CCc1ccc2c(c1)sc(=O)n2C
InChIInChI=1S/C14H21N3OS/c1-16(8-3-7-15)9-6-11-4-5-12-13(10-11)19-14(18)17(12)2/h4-5,10H,3,6-9,15H2,1-2H3
InChIKeyMOYULDDOSWSWAT-UHFFFAOYSA-N
XLogP1.42
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[3-aminopropyl(methyl)amino]ethyl]-3-methyl-1,3-benzothiazol-2-one?
The IUPAC name of 6-[2-[3-aminopropyl(methyl)amino]ethyl]-3-methyl-1,3-benzothiazol-2-one (CID 19092101) is 6-[2-[3-aminopropyl(methyl)amino]ethyl]-3-methyl-1,3-benzothiazol-2-one.
What is the SMILES notation for 6-[2-[3-aminopropyl(methyl)amino]ethyl]-3-methyl-1,3-benzothiazol-2-one?
The canonical SMILES for 6-[2-[3-aminopropyl(methyl)amino]ethyl]-3-methyl-1,3-benzothiazol-2-one is CN(CCCN)CCc1ccc2c(c1)sc(=O)n2C.
What is the InChIKey of 6-[2-[3-aminopropyl(methyl)amino]ethyl]-3-methyl-1,3-benzothiazol-2-one?
The InChIKey is MOYULDDOSWSWAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3OS/c1-16(8-3-7-15)9-6-11-4-5-12-13(10-11)19-14(18)17(12)2/h4-5,10H,3,6-9,15H2,1-2H3.
What are the key properties of 6-[2-[3-aminopropyl(methyl)amino]ethyl]-3-methyl-1,3-benzothiazol-2-one?
6-[2-[3-aminopropyl(methyl)amino]ethyl]-3-methyl-1,3-benzothiazol-2-one has a molecular weight of 279.41 g/mol, XLogP of 1.42, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[3-aminopropyl(methyl)amino]ethyl]-3-methyl-1,3-benzothiazol-2-one is sourced from PubChem (CID 19092101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).