N,N-dimethyl-1-[5-(2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)-1,3,4-oxadiazol-2-yl]methanamine

C15H15N5OS — CID 164626308

IUPACN,N-dimethyl-1-[5-(2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)-1,3,4-oxadiazol-2-yl]methanamine
SMILESCc1nc2sc3ccccc3n2c1-c1nnc(CN(C)C)o1
InChIInChI=1S/C15H15N5OS/c1-9-13(14-18-17-12(21-14)8-19(2)3)20-10-6-4-5-7-11(10)22-15(20)16-9/h4-7H,8H2,1-3H3
InChIKeyHQORMUNAITXOFG-UHFFFAOYSA-N
MW313.39 g/mol
LogP2.97
Rot. Bonds3

About N,N-dimethyl-1-[5-(2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)-1,3,4-oxadiazol-2-yl]methanamine

N,N-dimethyl-1-[5-(2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)-1,3,4-oxadiazol-2-yl]methanamine (PubChem CID 164626308) has the molecular formula C15H15N5OS and a molecular weight of 313.39 g/mol. Its IUPAC name is N,N-dimethyl-1-[5-(2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)-1,3,4-oxadiazol-2-yl]methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[5-(2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)-1,3,4-oxadiazol-2-yl]methanamine
PubChem CID164626308
Molecular FormulaC15H15N5OS
Molecular Weight313.39 g/mol
Exact Mass313.10
IUPAC NameN,N-dimethyl-1-[5-(2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)-1,3,4-oxadiazol-2-yl]methanamine
SMILESCc1nc2sc3ccccc3n2c1-c1nnc(CN(C)C)o1
InChIInChI=1S/C15H15N5OS/c1-9-13(14-18-17-12(21-14)8-19(2)3)20-10-6-4-5-7-11(10)22-15(20)16-9/h4-7H,8H2,1-3H3
InChIKeyHQORMUNAITXOFG-UHFFFAOYSA-N
XLogP2.97
TPSA59.46 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.39
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[5-(2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)-1,3,4-oxadiazol-2-yl]methanamine?
The IUPAC name of N,N-dimethyl-1-[5-(2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)-1,3,4-oxadiazol-2-yl]methanamine (CID 164626308) is N,N-dimethyl-1-[5-(2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)-1,3,4-oxadiazol-2-yl]methanamine.
What is the SMILES notation for N,N-dimethyl-1-[5-(2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)-1,3,4-oxadiazol-2-yl]methanamine?
The canonical SMILES for N,N-dimethyl-1-[5-(2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)-1,3,4-oxadiazol-2-yl]methanamine is Cc1nc2sc3ccccc3n2c1-c1nnc(CN(C)C)o1.
What is the InChIKey of N,N-dimethyl-1-[5-(2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)-1,3,4-oxadiazol-2-yl]methanamine?
The InChIKey is HQORMUNAITXOFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5OS/c1-9-13(14-18-17-12(21-14)8-19(2)3)20-10-6-4-5-7-11(10)22-15(20)16-9/h4-7H,8H2,1-3H3.
What are the key properties of N,N-dimethyl-1-[5-(2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)-1,3,4-oxadiazol-2-yl]methanamine?
N,N-dimethyl-1-[5-(2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)-1,3,4-oxadiazol-2-yl]methanamine has a molecular weight of 313.39 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[5-(2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)-1,3,4-oxadiazol-2-yl]methanamine is sourced from PubChem (CID 164626308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).