5-(2-chlorophenyl)-N-(thiophen-2-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine

C15H11ClN4S2 — CID 58285708

IUPAC5-(2-chlorophenyl)-N-(thiophen-2-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESClc1ccccc1-c1cnc2sc(NCc3cccs3)nn12
InChIInChI=1S/C15H11ClN4S2/c16-12-6-2-1-5-11(12)13-9-18-15-20(13)19-14(22-15)17-8-10-4-3-7-21-10/h1-7,9H,8H2,(H,17,19)
InChIKeyBYTBYAREJCXQAJ-UHFFFAOYSA-N
MW346.87 g/mol
LogP4.78
Rot. Bonds4

About 5-(2-chlorophenyl)-N-(thiophen-2-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine

5-(2-chlorophenyl)-N-(thiophen-2-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine (PubChem CID 58285708) has the molecular formula C15H11ClN4S2 and a molecular weight of 346.87 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-N-(thiophen-2-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine.

Molecular Properties

Compound Name5-(2-chlorophenyl)-N-(thiophen-2-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
PubChem CID58285708
Molecular FormulaC15H11ClN4S2
Molecular Weight346.87 g/mol
Exact Mass346.01
IUPAC Name5-(2-chlorophenyl)-N-(thiophen-2-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESClc1ccccc1-c1cnc2sc(NCc3cccs3)nn12
InChIInChI=1S/C15H11ClN4S2/c16-12-6-2-1-5-11(12)13-9-18-15-20(13)19-14(22-15)17-8-10-4-3-7-21-10/h1-7,9H,8H2,(H,17,19)
InChIKeyBYTBYAREJCXQAJ-UHFFFAOYSA-N
XLogP4.78
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.87
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-N-(thiophen-2-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The IUPAC name of 5-(2-chlorophenyl)-N-(thiophen-2-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine (CID 58285708) is 5-(2-chlorophenyl)-N-(thiophen-2-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine.
What is the SMILES notation for 5-(2-chlorophenyl)-N-(thiophen-2-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The canonical SMILES for 5-(2-chlorophenyl)-N-(thiophen-2-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine is Clc1ccccc1-c1cnc2sc(NCc3cccs3)nn12.
What is the InChIKey of 5-(2-chlorophenyl)-N-(thiophen-2-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The InChIKey is BYTBYAREJCXQAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN4S2/c16-12-6-2-1-5-11(12)13-9-18-15-20(13)19-14(22-15)17-8-10-4-3-7-21-10/h1-7,9H,8H2,(H,17,19).
What are the key properties of 5-(2-chlorophenyl)-N-(thiophen-2-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
5-(2-chlorophenyl)-N-(thiophen-2-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine has a molecular weight of 346.87 g/mol, XLogP of 4.78, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-N-(thiophen-2-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine is sourced from PubChem (CID 58285708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).