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

C14H11N5S2 — CID 58285682

IUPAC5-pyridin-3-yl-N-(thiophen-2-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESc1cncc(-c2cnc3sc(NCc4cccs4)nn23)c1
InChIInChI=1S/C14H11N5S2/c1-3-10(7-15-5-1)12-9-17-14-19(12)18-13(21-14)16-8-11-4-2-6-20-11/h1-7,9H,8H2,(H,16,18)
InChIKeyLZGSENQMDNJQCY-UHFFFAOYSA-N
MW313.41 g/mol
LogP3.53
Rot. Bonds4

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

5-pyridin-3-yl-N-(thiophen-2-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine (PubChem CID 58285682) has the molecular formula C14H11N5S2 and a molecular weight of 313.41 g/mol. Its IUPAC name is 5-pyridin-3-yl-N-(thiophen-2-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine.

Molecular Properties

Compound Name5-pyridin-3-yl-N-(thiophen-2-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
PubChem CID58285682
Molecular FormulaC14H11N5S2
Molecular Weight313.41 g/mol
Exact Mass313.05
IUPAC Name5-pyridin-3-yl-N-(thiophen-2-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESc1cncc(-c2cnc3sc(NCc4cccs4)nn23)c1
InChIInChI=1S/C14H11N5S2/c1-3-10(7-15-5-1)12-9-17-14-19(12)18-13(21-14)16-8-11-4-2-6-20-11/h1-7,9H,8H2,(H,16,18)
InChIKeyLZGSENQMDNJQCY-UHFFFAOYSA-N
XLogP3.53
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.41
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-pyridin-3-yl-N-(thiophen-2-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The IUPAC name of 5-pyridin-3-yl-N-(thiophen-2-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine (CID 58285682) is 5-pyridin-3-yl-N-(thiophen-2-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine.
What is the SMILES notation for 5-pyridin-3-yl-N-(thiophen-2-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The canonical SMILES for 5-pyridin-3-yl-N-(thiophen-2-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine is c1cncc(-c2cnc3sc(NCc4cccs4)nn23)c1.
What is the InChIKey of 5-pyridin-3-yl-N-(thiophen-2-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The InChIKey is LZGSENQMDNJQCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N5S2/c1-3-10(7-15-5-1)12-9-17-14-19(12)18-13(21-14)16-8-11-4-2-6-20-11/h1-7,9H,8H2,(H,16,18).
What are the key properties of 5-pyridin-3-yl-N-(thiophen-2-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
5-pyridin-3-yl-N-(thiophen-2-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine has a molecular weight of 313.41 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyridin-3-yl-N-(thiophen-2-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine is sourced from PubChem (CID 58285682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).