2-[2-(dimethylamino)ethyl-propylamino]-6,7-dihydro-5H-1,3-benzothiazol-4-one

C14H23N3OS — CID 64976249

IUPAC2-[2-(dimethylamino)ethyl-propylamino]-6,7-dihydro-5H-1,3-benzothiazol-4-one
SMILESCCCN(CCN(C)C)c1nc2c(s1)CCCC2=O
InChIInChI=1S/C14H23N3OS/c1-4-8-17(10-9-16(2)3)14-15-13-11(18)6-5-7-12(13)19-14/h4-10H2,1-3H3
InChIKeySRCXMHXMIZCBMG-UHFFFAOYSA-N
MW281.42 g/mol
LogP2.44
Rot. Bonds6

About 2-[2-(dimethylamino)ethyl-propylamino]-6,7-dihydro-5H-1,3-benzothiazol-4-one

2-[2-(dimethylamino)ethyl-propylamino]-6,7-dihydro-5H-1,3-benzothiazol-4-one (PubChem CID 64976249) has the molecular formula C14H23N3OS and a molecular weight of 281.42 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyl-propylamino]-6,7-dihydro-5H-1,3-benzothiazol-4-one.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethyl-propylamino]-6,7-dihydro-5H-1,3-benzothiazol-4-one
PubChem CID64976249
Molecular FormulaC14H23N3OS
Molecular Weight281.42 g/mol
Exact Mass281.16
IUPAC Name2-[2-(dimethylamino)ethyl-propylamino]-6,7-dihydro-5H-1,3-benzothiazol-4-one
SMILESCCCN(CCN(C)C)c1nc2c(s1)CCCC2=O
InChIInChI=1S/C14H23N3OS/c1-4-8-17(10-9-16(2)3)14-15-13-11(18)6-5-7-12(13)19-14/h4-10H2,1-3H3
InChIKeySRCXMHXMIZCBMG-UHFFFAOYSA-N
XLogP2.44
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethyl-propylamino]-6,7-dihydro-5H-1,3-benzothiazol-4-one?
The IUPAC name of 2-[2-(dimethylamino)ethyl-propylamino]-6,7-dihydro-5H-1,3-benzothiazol-4-one (CID 64976249) is 2-[2-(dimethylamino)ethyl-propylamino]-6,7-dihydro-5H-1,3-benzothiazol-4-one.
What is the SMILES notation for 2-[2-(dimethylamino)ethyl-propylamino]-6,7-dihydro-5H-1,3-benzothiazol-4-one?
The canonical SMILES for 2-[2-(dimethylamino)ethyl-propylamino]-6,7-dihydro-5H-1,3-benzothiazol-4-one is CCCN(CCN(C)C)c1nc2c(s1)CCCC2=O.
What is the InChIKey of 2-[2-(dimethylamino)ethyl-propylamino]-6,7-dihydro-5H-1,3-benzothiazol-4-one?
The InChIKey is SRCXMHXMIZCBMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3OS/c1-4-8-17(10-9-16(2)3)14-15-13-11(18)6-5-7-12(13)19-14/h4-10H2,1-3H3.
What are the key properties of 2-[2-(dimethylamino)ethyl-propylamino]-6,7-dihydro-5H-1,3-benzothiazol-4-one?
2-[2-(dimethylamino)ethyl-propylamino]-6,7-dihydro-5H-1,3-benzothiazol-4-one has a molecular weight of 281.42 g/mol, XLogP of 2.44, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethyl-propylamino]-6,7-dihydro-5H-1,3-benzothiazol-4-one is sourced from PubChem (CID 64976249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).