N-[3-[2-(2-methoxyethylamino)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]phenyl]acetamide

C15H17N5O2S — CID 67221934

IUPACN-[3-[2-(2-methoxyethylamino)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]phenyl]acetamide
SMILESCOCCNc1nn2cc(-c3cccc(NC(C)=O)c3)nc2s1
InChIInChI=1S/C15H17N5O2S/c1-10(21)17-12-5-3-4-11(8-12)13-9-20-15(18-13)23-14(19-20)16-6-7-22-2/h3-5,8-9H,6-7H2,1-2H3,(H,16,19)(H,17,21)
InChIKeyWURJZLQJOYESLX-UHFFFAOYSA-N
MW331.40 g/mol
LogP2.47
Rot. Bonds6

About N-[3-[2-(2-methoxyethylamino)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]phenyl]acetamide

N-[3-[2-(2-methoxyethylamino)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]phenyl]acetamide (PubChem CID 67221934) has the molecular formula C15H17N5O2S and a molecular weight of 331.40 g/mol. Its IUPAC name is N-[3-[2-(2-methoxyethylamino)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[2-(2-methoxyethylamino)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]phenyl]acetamide
PubChem CID67221934
Molecular FormulaC15H17N5O2S
Molecular Weight331.40 g/mol
Exact Mass331.11
IUPAC NameN-[3-[2-(2-methoxyethylamino)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]phenyl]acetamide
SMILESCOCCNc1nn2cc(-c3cccc(NC(C)=O)c3)nc2s1
InChIInChI=1S/C15H17N5O2S/c1-10(21)17-12-5-3-4-11(8-12)13-9-20-15(18-13)23-14(19-20)16-6-7-22-2/h3-5,8-9H,6-7H2,1-2H3,(H,16,19)(H,17,21)
InChIKeyWURJZLQJOYESLX-UHFFFAOYSA-N
XLogP2.47
TPSA80.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(2-methoxyethylamino)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]phenyl]acetamide?
The IUPAC name of N-[3-[2-(2-methoxyethylamino)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]phenyl]acetamide (CID 67221934) is N-[3-[2-(2-methoxyethylamino)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]phenyl]acetamide.
What is the SMILES notation for N-[3-[2-(2-methoxyethylamino)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]phenyl]acetamide?
The canonical SMILES for N-[3-[2-(2-methoxyethylamino)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]phenyl]acetamide is COCCNc1nn2cc(-c3cccc(NC(C)=O)c3)nc2s1.
What is the InChIKey of N-[3-[2-(2-methoxyethylamino)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]phenyl]acetamide?
The InChIKey is WURJZLQJOYESLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O2S/c1-10(21)17-12-5-3-4-11(8-12)13-9-20-15(18-13)23-14(19-20)16-6-7-22-2/h3-5,8-9H,6-7H2,1-2H3,(H,16,19)(H,17,21).
What are the key properties of N-[3-[2-(2-methoxyethylamino)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]phenyl]acetamide?
N-[3-[2-(2-methoxyethylamino)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]phenyl]acetamide has a molecular weight of 331.40 g/mol, XLogP of 2.47, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(2-methoxyethylamino)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]phenyl]acetamide is sourced from PubChem (CID 67221934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).