N-benzyl-5-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine

C15H12N4S2 — CID 162753485

IUPACN-benzyl-5-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESc1ccc(CNc2nn3c(-c4cccs4)cnc3s2)cc1
InChIInChI=1S/C15H12N4S2/c1-2-5-11(6-3-1)9-16-14-18-19-12(10-17-15(19)21-14)13-7-4-8-20-13/h1-8,10H,9H2,(H,16,18)
InChIKeyDUXUJQKOFIVVRX-UHFFFAOYSA-N
MW312.42 g/mol
LogP4.13
Rot. Bonds4

About N-benzyl-5-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine

N-benzyl-5-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine (PubChem CID 162753485) has the molecular formula C15H12N4S2 and a molecular weight of 312.42 g/mol. Its IUPAC name is N-benzyl-5-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine.

Molecular Properties

Compound NameN-benzyl-5-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
PubChem CID162753485
Molecular FormulaC15H12N4S2
Molecular Weight312.42 g/mol
Exact Mass312.05
IUPAC NameN-benzyl-5-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESc1ccc(CNc2nn3c(-c4cccs4)cnc3s2)cc1
InChIInChI=1S/C15H12N4S2/c1-2-5-11(6-3-1)9-16-14-18-19-12(10-17-15(19)21-14)13-7-4-8-20-13/h1-8,10H,9H2,(H,16,18)
InChIKeyDUXUJQKOFIVVRX-UHFFFAOYSA-N
XLogP4.13
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The IUPAC name of N-benzyl-5-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine (CID 162753485) is N-benzyl-5-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine.
What is the SMILES notation for N-benzyl-5-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The canonical SMILES for N-benzyl-5-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine is c1ccc(CNc2nn3c(-c4cccs4)cnc3s2)cc1.
What is the InChIKey of N-benzyl-5-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The InChIKey is DUXUJQKOFIVVRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4S2/c1-2-5-11(6-3-1)9-16-14-18-19-12(10-17-15(19)21-14)13-7-4-8-20-13/h1-8,10H,9H2,(H,16,18).
What are the key properties of N-benzyl-5-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine?
N-benzyl-5-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine has a molecular weight of 312.42 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine is sourced from PubChem (CID 162753485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).