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

C14H11N5S2 — CID 58285669

IUPACN-(pyridin-4-ylmethyl)-5-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESc1csc(-c2cnc3sc(NCc4ccncc4)nn23)c1
InChIInChI=1S/C14H11N5S2/c1-2-12(20-7-1)11-9-17-14-19(11)18-13(21-14)16-8-10-3-5-15-6-4-10/h1-7,9H,8H2,(H,16,18)
InChIKeySEPIURKBKYLWPF-UHFFFAOYSA-N
MW313.41 g/mol
LogP3.53
Rot. Bonds4

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

N-(pyridin-4-ylmethyl)-5-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine (PubChem CID 58285669) has the molecular formula C14H11N5S2 and a molecular weight of 313.41 g/mol. Its IUPAC name is N-(pyridin-4-ylmethyl)-5-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine.

Molecular Properties

Compound NameN-(pyridin-4-ylmethyl)-5-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
PubChem CID58285669
Molecular FormulaC14H11N5S2
Molecular Weight313.41 g/mol
Exact Mass313.05
IUPAC NameN-(pyridin-4-ylmethyl)-5-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESc1csc(-c2cnc3sc(NCc4ccncc4)nn23)c1
InChIInChI=1S/C14H11N5S2/c1-2-12(20-7-1)11-9-17-14-19(11)18-13(21-14)16-8-10-3-5-15-6-4-10/h1-7,9H,8H2,(H,16,18)
InChIKeySEPIURKBKYLWPF-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 N-(pyridin-4-ylmethyl)-5-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The IUPAC name of N-(pyridin-4-ylmethyl)-5-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine (CID 58285669) is N-(pyridin-4-ylmethyl)-5-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine.
What is the SMILES notation for N-(pyridin-4-ylmethyl)-5-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The canonical SMILES for N-(pyridin-4-ylmethyl)-5-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine is c1csc(-c2cnc3sc(NCc4ccncc4)nn23)c1.
What is the InChIKey of N-(pyridin-4-ylmethyl)-5-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The InChIKey is SEPIURKBKYLWPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N5S2/c1-2-12(20-7-1)11-9-17-14-19(11)18-13(21-14)16-8-10-3-5-15-6-4-10/h1-7,9H,8H2,(H,16,18).
What are the key properties of N-(pyridin-4-ylmethyl)-5-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine?
N-(pyridin-4-ylmethyl)-5-thiophen-2-ylimidazo[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 N-(pyridin-4-ylmethyl)-5-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine is sourced from PubChem (CID 58285669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).