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

C14H11N5S2 — CID 58285628

IUPACN-(pyridin-4-ylmethyl)-5-thiophen-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESc1cc(CNc2nn3c(-c4ccsc4)cnc3s2)ccn1
InChIInChI=1S/C14H11N5S2/c1-4-15-5-2-10(1)7-16-13-18-19-12(8-17-14(19)21-13)11-3-6-20-9-11/h1-6,8-9H,7H2,(H,16,18)
InChIKeyCIKQIUYMPMTENK-UHFFFAOYSA-N
MW313.41 g/mol
LogP3.53
Rot. Bonds4

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

N-(pyridin-4-ylmethyl)-5-thiophen-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine (PubChem CID 58285628) has the molecular formula C14H11N5S2 and a molecular weight of 313.41 g/mol. Its IUPAC name is N-(pyridin-4-ylmethyl)-5-thiophen-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine.

Molecular Properties

Compound NameN-(pyridin-4-ylmethyl)-5-thiophen-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
PubChem CID58285628
Molecular FormulaC14H11N5S2
Molecular Weight313.41 g/mol
Exact Mass313.05
IUPAC NameN-(pyridin-4-ylmethyl)-5-thiophen-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESc1cc(CNc2nn3c(-c4ccsc4)cnc3s2)ccn1
InChIInChI=1S/C14H11N5S2/c1-4-15-5-2-10(1)7-16-13-18-19-12(8-17-14(19)21-13)11-3-6-20-9-11/h1-6,8-9H,7H2,(H,16,18)
InChIKeyCIKQIUYMPMTENK-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-4-ylmethyl)-5-thiophen-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The IUPAC name of N-(pyridin-4-ylmethyl)-5-thiophen-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine (CID 58285628) is N-(pyridin-4-ylmethyl)-5-thiophen-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine.
What is the SMILES notation for N-(pyridin-4-ylmethyl)-5-thiophen-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The canonical SMILES for N-(pyridin-4-ylmethyl)-5-thiophen-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine is c1cc(CNc2nn3c(-c4ccsc4)cnc3s2)ccn1.
What is the InChIKey of N-(pyridin-4-ylmethyl)-5-thiophen-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The InChIKey is CIKQIUYMPMTENK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N5S2/c1-4-15-5-2-10(1)7-16-13-18-19-12(8-17-14(19)21-13)11-3-6-20-9-11/h1-6,8-9H,7H2,(H,16,18).
What are the key properties of N-(pyridin-4-ylmethyl)-5-thiophen-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine?
N-(pyridin-4-ylmethyl)-5-thiophen-3-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-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine is sourced from PubChem (CID 58285628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).