N-benzyl-5-(6-methoxy-3-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine

C17H15N5OS — CID 58285706

IUPACN-benzyl-5-(6-methoxy-3-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESCOc1ccc(-c2cnc3sc(NCc4ccccc4)nn23)cn1
InChIInChI=1S/C17H15N5OS/c1-23-15-8-7-13(10-18-15)14-11-20-17-22(14)21-16(24-17)19-9-12-5-3-2-4-6-12/h2-8,10-11H,9H2,1H3,(H,19,21)
InChIKeyMJEOVHVSIHUUME-UHFFFAOYSA-N
MW337.41 g/mol
LogP3.47
Rot. Bonds5

About N-benzyl-5-(6-methoxy-3-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine

N-benzyl-5-(6-methoxy-3-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine (PubChem CID 58285706) has the molecular formula C17H15N5OS and a molecular weight of 337.41 g/mol. Its IUPAC name is N-benzyl-5-(6-methoxy-3-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine.

Molecular Properties

Compound NameN-benzyl-5-(6-methoxy-3-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
PubChem CID58285706
Molecular FormulaC17H15N5OS
Molecular Weight337.41 g/mol
Exact Mass337.10
IUPAC NameN-benzyl-5-(6-methoxy-3-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESCOc1ccc(-c2cnc3sc(NCc4ccccc4)nn23)cn1
InChIInChI=1S/C17H15N5OS/c1-23-15-8-7-13(10-18-15)14-11-20-17-22(14)21-16(24-17)19-9-12-5-3-2-4-6-12/h2-8,10-11H,9H2,1H3,(H,19,21)
InChIKeyMJEOVHVSIHUUME-UHFFFAOYSA-N
XLogP3.47
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.41
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-(6-methoxy-3-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The IUPAC name of N-benzyl-5-(6-methoxy-3-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine (CID 58285706) is N-benzyl-5-(6-methoxy-3-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine.
What is the SMILES notation for N-benzyl-5-(6-methoxy-3-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The canonical SMILES for N-benzyl-5-(6-methoxy-3-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine is COc1ccc(-c2cnc3sc(NCc4ccccc4)nn23)cn1.
What is the InChIKey of N-benzyl-5-(6-methoxy-3-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The InChIKey is MJEOVHVSIHUUME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5OS/c1-23-15-8-7-13(10-18-15)14-11-20-17-22(14)21-16(24-17)19-9-12-5-3-2-4-6-12/h2-8,10-11H,9H2,1H3,(H,19,21).
What are the key properties of N-benzyl-5-(6-methoxy-3-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
N-benzyl-5-(6-methoxy-3-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine has a molecular weight of 337.41 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-(6-methoxy-3-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine is sourced from PubChem (CID 58285706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).