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

C15H13N5OS2 — CID 58285430

IUPAC5-(6-methoxy-3-pyridinyl)-N-(thiophen-2-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESCOc1ccc(-c2cnc3sc(NCc4cccs4)nn23)cn1
InChIInChI=1S/C15H13N5OS2/c1-21-13-5-4-10(7-16-13)12-9-18-15-20(12)19-14(23-15)17-8-11-3-2-6-22-11/h2-7,9H,8H2,1H3,(H,17,19)
InChIKeyZGRBXIQRUFYTAI-UHFFFAOYSA-N
MW343.44 g/mol
LogP3.54
Rot. Bonds5

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

5-(6-methoxy-3-pyridinyl)-N-(thiophen-2-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine (PubChem CID 58285430) has the molecular formula C15H13N5OS2 and a molecular weight of 343.44 g/mol. Its IUPAC name is 5-(6-methoxy-3-pyridinyl)-N-(thiophen-2-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine.

Molecular Properties

Compound Name5-(6-methoxy-3-pyridinyl)-N-(thiophen-2-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
PubChem CID58285430
Molecular FormulaC15H13N5OS2
Molecular Weight343.44 g/mol
Exact Mass343.06
IUPAC Name5-(6-methoxy-3-pyridinyl)-N-(thiophen-2-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESCOc1ccc(-c2cnc3sc(NCc4cccs4)nn23)cn1
InChIInChI=1S/C15H13N5OS2/c1-21-13-5-4-10(7-16-13)12-9-18-15-20(12)19-14(23-15)17-8-11-3-2-6-22-11/h2-7,9H,8H2,1H3,(H,17,19)
InChIKeyZGRBXIQRUFYTAI-UHFFFAOYSA-N
XLogP3.54
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.44
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-(6-methoxy-3-pyridinyl)-N-(thiophen-2-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The IUPAC name of 5-(6-methoxy-3-pyridinyl)-N-(thiophen-2-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine (CID 58285430) is 5-(6-methoxy-3-pyridinyl)-N-(thiophen-2-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine.
What is the SMILES notation for 5-(6-methoxy-3-pyridinyl)-N-(thiophen-2-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The canonical SMILES for 5-(6-methoxy-3-pyridinyl)-N-(thiophen-2-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine is COc1ccc(-c2cnc3sc(NCc4cccs4)nn23)cn1.
What is the InChIKey of 5-(6-methoxy-3-pyridinyl)-N-(thiophen-2-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The InChIKey is ZGRBXIQRUFYTAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5OS2/c1-21-13-5-4-10(7-16-13)12-9-18-15-20(12)19-14(23-15)17-8-11-3-2-6-22-11/h2-7,9H,8H2,1H3,(H,17,19).
What are the key properties of 5-(6-methoxy-3-pyridinyl)-N-(thiophen-2-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
5-(6-methoxy-3-pyridinyl)-N-(thiophen-2-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine has a molecular weight of 343.44 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-methoxy-3-pyridinyl)-N-(thiophen-2-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine is sourced from PubChem (CID 58285430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).