N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-1-methyl-N-(pyridin-2-ylmethyl)imidazole-2-carboxamide

C20H19N5OS — CID 43987386

IUPACN-(5,7-dimethyl-1,3-benzothiazol-2-yl)-1-methyl-N-(pyridin-2-ylmethyl)imidazole-2-carboxamide
SMILESCc1cc(C)c2sc(N(Cc3ccccn3)C(=O)c3nccn3C)nc2c1
InChIInChI=1S/C20H19N5OS/c1-13-10-14(2)17-16(11-13)23-20(27-17)25(12-15-6-4-5-7-21-15)19(26)18-22-8-9-24(18)3/h4-11H,12H2,1-3H3
InChIKeyKKRJYFYCYWEGMI-UHFFFAOYSA-N
MW377.47 g/mol
LogP3.89
Rot. Bonds4

About N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-1-methyl-N-(pyridin-2-ylmethyl)imidazole-2-carboxamide

N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-1-methyl-N-(pyridin-2-ylmethyl)imidazole-2-carboxamide (PubChem CID 43987386) has the molecular formula C20H19N5OS and a molecular weight of 377.47 g/mol. Its IUPAC name is N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-1-methyl-N-(pyridin-2-ylmethyl)imidazole-2-carboxamide.

Molecular Properties

Compound NameN-(5,7-dimethyl-1,3-benzothiazol-2-yl)-1-methyl-N-(pyridin-2-ylmethyl)imidazole-2-carboxamide
PubChem CID43987386
Molecular FormulaC20H19N5OS
Molecular Weight377.47 g/mol
Exact Mass377.13
IUPAC NameN-(5,7-dimethyl-1,3-benzothiazol-2-yl)-1-methyl-N-(pyridin-2-ylmethyl)imidazole-2-carboxamide
SMILESCc1cc(C)c2sc(N(Cc3ccccn3)C(=O)c3nccn3C)nc2c1
InChIInChI=1S/C20H19N5OS/c1-13-10-14(2)17-16(11-13)23-20(27-17)25(12-15-6-4-5-7-21-15)19(26)18-22-8-9-24(18)3/h4-11H,12H2,1-3H3
InChIKeyKKRJYFYCYWEGMI-UHFFFAOYSA-N
XLogP3.89
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3,5-dichloro-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)benzamide
CID 43987391
2-bromo-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)benzamide
CID 41056190
4-tert-butyl-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)benzamide
CID 41056227
N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-3,4-dimethoxy-N-(pyridin-2-ylmethyl)benzamide
CID 41056200
N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-3,4,5-trimethoxy-N-(pyridin-2-ylmethyl)benzamide
CID 41056194
5-bromo-2-chloro-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)benzamide
CID 43986495
N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-phenoxy-N-(pyridin-2-ylmethyl)acetamide
CID 40519364
N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-(3,5-dimethylpyrazol-1-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 43987378
N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-3-propan-2-ylsulfanyl-N-(pyridin-2-ylmethyl)benzamide
CID 41127081
5-chloro-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-methoxy-N-(pyridin-2-ylmethyl)benzamide
CID 43986521
N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-4-oxo-N-(pyridin-2-ylmethyl)chromene-3-carboxamide
CID 41056222
N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-(4-methoxy-3-methylphenyl)-N-(pyridin-2-ylmethyl)acetamide
CID 16848545

Frequently Asked Questions

What is the IUPAC name of N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-1-methyl-N-(pyridin-2-ylmethyl)imidazole-2-carboxamide?
The IUPAC name of N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-1-methyl-N-(pyridin-2-ylmethyl)imidazole-2-carboxamide (CID 43987386) is N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-1-methyl-N-(pyridin-2-ylmethyl)imidazole-2-carboxamide.
What is the SMILES notation for N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-1-methyl-N-(pyridin-2-ylmethyl)imidazole-2-carboxamide?
The canonical SMILES for N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-1-methyl-N-(pyridin-2-ylmethyl)imidazole-2-carboxamide is Cc1cc(C)c2sc(N(Cc3ccccn3)C(=O)c3nccn3C)nc2c1.
What is the InChIKey of N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-1-methyl-N-(pyridin-2-ylmethyl)imidazole-2-carboxamide?
The InChIKey is KKRJYFYCYWEGMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5OS/c1-13-10-14(2)17-16(11-13)23-20(27-17)25(12-15-6-4-5-7-21-15)19(26)18-22-8-9-24(18)3/h4-11H,12H2,1-3H3.
What are the key properties of N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-1-methyl-N-(pyridin-2-ylmethyl)imidazole-2-carboxamide?
N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-1-methyl-N-(pyridin-2-ylmethyl)imidazole-2-carboxamide has a molecular weight of 377.47 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-1-methyl-N-(pyridin-2-ylmethyl)imidazole-2-carboxamide is sourced from PubChem (CID 43987386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).