2-(N,4-dimethylanilino)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol

C17H22N2OS — CID 62753693

IUPAC2-(N,4-dimethylanilino)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol
SMILESCc1ccc(N(C)c2nc3c(s2)C(O)CC(C)(C)C3)cc1
InChIInChI=1S/C17H22N2OS/c1-11-5-7-12(8-6-11)19(4)16-18-13-9-17(2,3)10-14(20)15(13)21-16/h5-8,14,20H,9-10H2,1-4H3
InChIKeyKCMBISKHTAZQDE-UHFFFAOYSA-N
MW302.44 g/mol
LogP4.23
Rot. Bonds2

About 2-(N,4-dimethylanilino)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol

2-(N,4-dimethylanilino)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol (PubChem CID 62753693) has the molecular formula C17H22N2OS and a molecular weight of 302.44 g/mol. Its IUPAC name is 2-(N,4-dimethylanilino)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol.

Molecular Properties

Compound Name2-(N,4-dimethylanilino)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol
PubChem CID62753693
Molecular FormulaC17H22N2OS
Molecular Weight302.44 g/mol
Exact Mass302.15
IUPAC Name2-(N,4-dimethylanilino)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol
SMILESCc1ccc(N(C)c2nc3c(s2)C(O)CC(C)(C)C3)cc1
InChIInChI=1S/C17H22N2OS/c1-11-5-7-12(8-6-11)19(4)16-18-13-9-17(2,3)10-14(20)15(13)21-16/h5-8,14,20H,9-10H2,1-4H3
InChIKeyKCMBISKHTAZQDE-UHFFFAOYSA-N
XLogP4.23
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(N,4-dimethylanilino)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol?
The IUPAC name of 2-(N,4-dimethylanilino)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol (CID 62753693) is 2-(N,4-dimethylanilino)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol.
What is the SMILES notation for 2-(N,4-dimethylanilino)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol?
The canonical SMILES for 2-(N,4-dimethylanilino)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol is Cc1ccc(N(C)c2nc3c(s2)C(O)CC(C)(C)C3)cc1.
What is the InChIKey of 2-(N,4-dimethylanilino)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol?
The InChIKey is KCMBISKHTAZQDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2OS/c1-11-5-7-12(8-6-11)19(4)16-18-13-9-17(2,3)10-14(20)15(13)21-16/h5-8,14,20H,9-10H2,1-4H3.
What are the key properties of 2-(N,4-dimethylanilino)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol?
2-(N,4-dimethylanilino)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol has a molecular weight of 302.44 g/mol, XLogP of 4.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N,4-dimethylanilino)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol is sourced from PubChem (CID 62753693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).