6-[(dimethylamino)methyl]-N-(5-methoxy-3-pyridinyl)imidazo[2,1-b][1,3]benzothiazole-2-carboxamide

C19H19N5O2S — CID 126617799

IUPAC6-[(dimethylamino)methyl]-N-(5-methoxy-3-pyridinyl)imidazo[2,1-b][1,3]benzothiazole-2-carboxamide
SMILESCOc1cncc(NC(=O)c2cn3c(n2)sc2cc(CN(C)C)ccc23)c1
InChIInChI=1S/C19H19N5O2S/c1-23(2)10-12-4-5-16-17(6-12)27-19-22-15(11-24(16)19)18(25)21-13-7-14(26-3)9-20-8-13/h4-9,11H,10H2,1-3H3,(H,21,25)
InChIKeyOKGQYFPSLSYYIY-UHFFFAOYSA-N
MW381.46 g/mol
LogP3.27
Rot. Bonds5

About 6-[(dimethylamino)methyl]-N-(5-methoxy-3-pyridinyl)imidazo[2,1-b][1,3]benzothiazole-2-carboxamide

6-[(dimethylamino)methyl]-N-(5-methoxy-3-pyridinyl)imidazo[2,1-b][1,3]benzothiazole-2-carboxamide (PubChem CID 126617799) has the molecular formula C19H19N5O2S and a molecular weight of 381.46 g/mol. Its IUPAC name is 6-[(dimethylamino)methyl]-N-(5-methoxy-3-pyridinyl)imidazo[2,1-b][1,3]benzothiazole-2-carboxamide.

Molecular Properties

Compound Name6-[(dimethylamino)methyl]-N-(5-methoxy-3-pyridinyl)imidazo[2,1-b][1,3]benzothiazole-2-carboxamide
PubChem CID126617799
Molecular FormulaC19H19N5O2S
Molecular Weight381.46 g/mol
Exact Mass381.13
IUPAC Name6-[(dimethylamino)methyl]-N-(5-methoxy-3-pyridinyl)imidazo[2,1-b][1,3]benzothiazole-2-carboxamide
SMILESCOc1cncc(NC(=O)c2cn3c(n2)sc2cc(CN(C)C)ccc23)c1
InChIInChI=1S/C19H19N5O2S/c1-23(2)10-12-4-5-16-17(6-12)27-19-22-15(11-24(16)19)18(25)21-13-7-14(26-3)9-20-8-13/h4-9,11H,10H2,1-3H3,(H,21,25)
InChIKeyOKGQYFPSLSYYIY-UHFFFAOYSA-N
XLogP3.27
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[(dimethylamino)methyl]-N-(5-methoxy-3-pyridinyl)imidazo[2,1-b][1,3]benzothiazole-2-carboxamide?
The IUPAC name of 6-[(dimethylamino)methyl]-N-(5-methoxy-3-pyridinyl)imidazo[2,1-b][1,3]benzothiazole-2-carboxamide (CID 126617799) is 6-[(dimethylamino)methyl]-N-(5-methoxy-3-pyridinyl)imidazo[2,1-b][1,3]benzothiazole-2-carboxamide.
What is the SMILES notation for 6-[(dimethylamino)methyl]-N-(5-methoxy-3-pyridinyl)imidazo[2,1-b][1,3]benzothiazole-2-carboxamide?
The canonical SMILES for 6-[(dimethylamino)methyl]-N-(5-methoxy-3-pyridinyl)imidazo[2,1-b][1,3]benzothiazole-2-carboxamide is COc1cncc(NC(=O)c2cn3c(n2)sc2cc(CN(C)C)ccc23)c1.
What is the InChIKey of 6-[(dimethylamino)methyl]-N-(5-methoxy-3-pyridinyl)imidazo[2,1-b][1,3]benzothiazole-2-carboxamide?
The InChIKey is OKGQYFPSLSYYIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2S/c1-23(2)10-12-4-5-16-17(6-12)27-19-22-15(11-24(16)19)18(25)21-13-7-14(26-3)9-20-8-13/h4-9,11H,10H2,1-3H3,(H,21,25).
What are the key properties of 6-[(dimethylamino)methyl]-N-(5-methoxy-3-pyridinyl)imidazo[2,1-b][1,3]benzothiazole-2-carboxamide?
6-[(dimethylamino)methyl]-N-(5-methoxy-3-pyridinyl)imidazo[2,1-b][1,3]benzothiazole-2-carboxamide has a molecular weight of 381.46 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(dimethylamino)methyl]-N-(5-methoxy-3-pyridinyl)imidazo[2,1-b][1,3]benzothiazole-2-carboxamide is sourced from PubChem (CID 126617799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).