[(2S,6R)-2,6-dimethylmorpholin-4-yl]-[5-(6-methyl-1H-benzimidazol-2-yl)imidazo[2,1-b][1,3]thiazol-6-yl]methanone

C20H21N5O2S — CID 56873471

IUPAC[(2S,6R)-2,6-dimethylmorpholin-4-yl]-[5-(6-methyl-1H-benzimidazol-2-yl)imidazo[2,1-b][1,3]thiazol-6-yl]methanone
SMILESCc1ccc2nc(-c3c(C(=O)N4C[C@@H](C)O[C@@H](C)C4)nc4sccn34)[nH]c2c1
InChIInChI=1S/C20H21N5O2S/c1-11-4-5-14-15(8-11)22-18(21-14)17-16(23-20-25(17)6-7-28-20)19(26)24-9-12(2)27-13(3)10-24/h4-8,12-13H,9-10H2,1-3H3,(H,21,22)/t12-,13+
InChIKeyAZXDXLBDSJUTHB-BETUJISGSA-N
MW395.49 g/mol
LogP3.50
Rot. Bonds2

About [(2S,6R)-2,6-dimethylmorpholin-4-yl]-[5-(6-methyl-1H-benzimidazol-2-yl)imidazo[2,1-b][1,3]thiazol-6-yl]methanone

[(2S,6R)-2,6-dimethylmorpholin-4-yl]-[5-(6-methyl-1H-benzimidazol-2-yl)imidazo[2,1-b][1,3]thiazol-6-yl]methanone (PubChem CID 56873471) has the molecular formula C20H21N5O2S and a molecular weight of 395.49 g/mol. Its IUPAC name is [(2S,6R)-2,6-dimethylmorpholin-4-yl]-[5-(6-methyl-1H-benzimidazol-2-yl)imidazo[2,1-b][1,3]thiazol-6-yl]methanone.

Molecular Properties

Compound Name[(2S,6R)-2,6-dimethylmorpholin-4-yl]-[5-(6-methyl-1H-benzimidazol-2-yl)imidazo[2,1-b][1,3]thiazol-6-yl]methanone
PubChem CID56873471
Molecular FormulaC20H21N5O2S
Molecular Weight395.49 g/mol
Exact Mass395.14
IUPAC Name[(2S,6R)-2,6-dimethylmorpholin-4-yl]-[5-(6-methyl-1H-benzimidazol-2-yl)imidazo[2,1-b][1,3]thiazol-6-yl]methanone
SMILESCc1ccc2nc(-c3c(C(=O)N4C[C@@H](C)O[C@@H](C)C4)nc4sccn34)[nH]c2c1
InChIInChI=1S/C20H21N5O2S/c1-11-4-5-14-15(8-11)22-18(21-14)17-16(23-20-25(17)6-7-28-20)19(26)24-9-12(2)27-13(3)10-24/h4-8,12-13H,9-10H2,1-3H3,(H,21,22)/t12-,13+
InChIKeyAZXDXLBDSJUTHB-BETUJISGSA-N
XLogP3.50
TPSA75.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.49
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(2S,6R)-2,6-dimethylmorpholin-4-yl]-[5-(6-methyl-1H-benzimidazol-2-yl)imidazo[2,1-b][1,3]thiazol-6-yl]methanone?
The IUPAC name of [(2S,6R)-2,6-dimethylmorpholin-4-yl]-[5-(6-methyl-1H-benzimidazol-2-yl)imidazo[2,1-b][1,3]thiazol-6-yl]methanone (CID 56873471) is [(2S,6R)-2,6-dimethylmorpholin-4-yl]-[5-(6-methyl-1H-benzimidazol-2-yl)imidazo[2,1-b][1,3]thiazol-6-yl]methanone.
What is the SMILES notation for [(2S,6R)-2,6-dimethylmorpholin-4-yl]-[5-(6-methyl-1H-benzimidazol-2-yl)imidazo[2,1-b][1,3]thiazol-6-yl]methanone?
The canonical SMILES for [(2S,6R)-2,6-dimethylmorpholin-4-yl]-[5-(6-methyl-1H-benzimidazol-2-yl)imidazo[2,1-b][1,3]thiazol-6-yl]methanone is Cc1ccc2nc(-c3c(C(=O)N4C[C@@H](C)O[C@@H](C)C4)nc4sccn34)[nH]c2c1.
What is the InChIKey of [(2S,6R)-2,6-dimethylmorpholin-4-yl]-[5-(6-methyl-1H-benzimidazol-2-yl)imidazo[2,1-b][1,3]thiazol-6-yl]methanone?
The InChIKey is AZXDXLBDSJUTHB-BETUJISGSA-N. The full InChI is InChI=1S/C20H21N5O2S/c1-11-4-5-14-15(8-11)22-18(21-14)17-16(23-20-25(17)6-7-28-20)19(26)24-9-12(2)27-13(3)10-24/h4-8,12-13H,9-10H2,1-3H3,(H,21,22)/t12-,13+.
What are the key properties of [(2S,6R)-2,6-dimethylmorpholin-4-yl]-[5-(6-methyl-1H-benzimidazol-2-yl)imidazo[2,1-b][1,3]thiazol-6-yl]methanone?
[(2S,6R)-2,6-dimethylmorpholin-4-yl]-[5-(6-methyl-1H-benzimidazol-2-yl)imidazo[2,1-b][1,3]thiazol-6-yl]methanone has a molecular weight of 395.49 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,6R)-2,6-dimethylmorpholin-4-yl]-[5-(6-methyl-1H-benzimidazol-2-yl)imidazo[2,1-b][1,3]thiazol-6-yl]methanone is sourced from PubChem (CID 56873471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).