2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol

C15H25N3OS — CID 105418304

IUPAC2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol
SMILESCN(CC1(N(C)C)CCC1)c1nc2c(s1)CCCC2O
InChIInChI=1S/C15H25N3OS/c1-17(2)15(8-5-9-15)10-18(3)14-16-13-11(19)6-4-7-12(13)20-14/h11,19H,4-10H2,1-3H3
InChIKeyKFSKXJNKCVJAFJ-UHFFFAOYSA-N
MW295.45 g/mol
LogP2.43
Rot. Bonds4

About 2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol

2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol (PubChem CID 105418304) has the molecular formula C15H25N3OS and a molecular weight of 295.45 g/mol. Its IUPAC name is 2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol.

Molecular Properties

Compound Name2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol
PubChem CID105418304
Molecular FormulaC15H25N3OS
Molecular Weight295.45 g/mol
Exact Mass295.17
IUPAC Name2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol
SMILESCN(CC1(N(C)C)CCC1)c1nc2c(s1)CCCC2O
InChIInChI=1S/C15H25N3OS/c1-17(2)15(8-5-9-15)10-18(3)14-16-13-11(19)6-4-7-12(13)20-14/h11,19H,4-10H2,1-3H3
InChIKeyKFSKXJNKCVJAFJ-UHFFFAOYSA-N
XLogP2.43
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol?
The IUPAC name of 2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol (CID 105418304) is 2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol.
What is the SMILES notation for 2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol?
The canonical SMILES for 2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol is CN(CC1(N(C)C)CCC1)c1nc2c(s1)CCCC2O.
What is the InChIKey of 2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol?
The InChIKey is KFSKXJNKCVJAFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3OS/c1-17(2)15(8-5-9-15)10-18(3)14-16-13-11(19)6-4-7-12(13)20-14/h11,19H,4-10H2,1-3H3.
What are the key properties of 2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol?
2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol has a molecular weight of 295.45 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol is sourced from PubChem (CID 105418304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).