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

C15H18N2OS — CID 46193553

IUPAC2-[4-(dimethylamino)phenyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol
SMILESCN(C)c1ccc(-c2nc3c(s2)C(O)CCC3)cc1
InChIInChI=1S/C15H18N2OS/c1-17(2)11-8-6-10(7-9-11)15-16-12-4-3-5-13(18)14(12)19-15/h6-9,13,18H,3-5H2,1-2H3
InChIKeyHMANXAFVUFXDNZ-UHFFFAOYSA-N
MW274.39 g/mol
LogP3.25
Rot. Bonds2

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

2-[4-(dimethylamino)phenyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol (PubChem CID 46193553) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is 2-[4-(dimethylamino)phenyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol.

Molecular Properties

Compound Name2-[4-(dimethylamino)phenyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol
PubChem CID46193553
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC Name2-[4-(dimethylamino)phenyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol
SMILESCN(C)c1ccc(-c2nc3c(s2)C(O)CCC3)cc1
InChIInChI=1S/C15H18N2OS/c1-17(2)11-8-6-10(7-9-11)15-16-12-4-3-5-13(18)14(12)19-15/h6-9,13,18H,3-5H2,1-2H3
InChIKeyHMANXAFVUFXDNZ-UHFFFAOYSA-N
XLogP3.25
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_G(9)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylamino)phenyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol?
The IUPAC name of 2-[4-(dimethylamino)phenyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol (CID 46193553) is 2-[4-(dimethylamino)phenyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol.
What is the SMILES notation for 2-[4-(dimethylamino)phenyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol?
The canonical SMILES for 2-[4-(dimethylamino)phenyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol is CN(C)c1ccc(-c2nc3c(s2)C(O)CCC3)cc1.
What is the InChIKey of 2-[4-(dimethylamino)phenyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol?
The InChIKey is HMANXAFVUFXDNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-17(2)11-8-6-10(7-9-11)15-16-12-4-3-5-13(18)14(12)19-15/h6-9,13,18H,3-5H2,1-2H3.
What are the key properties of 2-[4-(dimethylamino)phenyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol?
2-[4-(dimethylamino)phenyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol has a molecular weight of 274.39 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylamino)phenyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol is sourced from PubChem (CID 46193553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).