4-(dimethylamino)-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)benzamide

C18H19N3OS — CID 2150762

IUPAC4-(dimethylamino)-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)benzamide
SMILESCc1ccc(C)c2sc(NC(=O)c3ccc(N(C)C)cc3)nc12
InChIInChI=1S/C18H19N3OS/c1-11-5-6-12(2)16-15(11)19-18(23-16)20-17(22)13-7-9-14(10-8-13)21(3)4/h5-10H,1-4H3,(H,19,20,22)
InChIKeyQJGLAZRORRRNIG-UHFFFAOYSA-N
MW325.44 g/mol
LogP4.23
Rot. Bonds3

About 4-(dimethylamino)-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)benzamide

4-(dimethylamino)-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)benzamide (PubChem CID 2150762) has the molecular formula C18H19N3OS and a molecular weight of 325.44 g/mol. Its IUPAC name is 4-(dimethylamino)-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)benzamide
PubChem CID2150762
Molecular FormulaC18H19N3OS
Molecular Weight325.44 g/mol
Exact Mass325.12
IUPAC Name4-(dimethylamino)-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)benzamide
SMILESCc1ccc(C)c2sc(NC(=O)c3ccc(N(C)C)cc3)nc12
InChIInChI=1S/C18H19N3OS/c1-11-5-6-12(2)16-15(11)19-18(23-16)20-17(22)13-7-9-14(10-8-13)21(3)4/h5-10H,1-4H3,(H,19,20,22)
InChIKeyQJGLAZRORRRNIG-UHFFFAOYSA-N
XLogP4.23
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.44
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)benzamide?
The IUPAC name of 4-(dimethylamino)-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)benzamide (CID 2150762) is 4-(dimethylamino)-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)benzamide.
What is the SMILES notation for 4-(dimethylamino)-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)benzamide?
The canonical SMILES for 4-(dimethylamino)-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)benzamide is Cc1ccc(C)c2sc(NC(=O)c3ccc(N(C)C)cc3)nc12.
What is the InChIKey of 4-(dimethylamino)-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)benzamide?
The InChIKey is QJGLAZRORRRNIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3OS/c1-11-5-6-12(2)16-15(11)19-18(23-16)20-17(22)13-7-9-14(10-8-13)21(3)4/h5-10H,1-4H3,(H,19,20,22).
What are the key properties of 4-(dimethylamino)-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)benzamide?
4-(dimethylamino)-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)benzamide has a molecular weight of 325.44 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 2150762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).