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

C14H16N4OS2 — CID 58285518

IUPACN-(oxan-4-ylmethyl)-5-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESc1csc(-c2cnc3sc(NCC4CCOCC4)nn23)c1
InChIInChI=1S/C14H16N4OS2/c1-2-12(20-7-1)11-9-16-14-18(11)17-13(21-14)15-8-10-3-5-19-6-4-10/h1-2,7,9-10H,3-6,8H2,(H,15,17)
InChIKeyLVVHGBHCFCKIPX-UHFFFAOYSA-N
MW320.44 g/mol
LogP3.36
Rot. Bonds4

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

N-(oxan-4-ylmethyl)-5-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine (PubChem CID 58285518) has the molecular formula C14H16N4OS2 and a molecular weight of 320.44 g/mol. Its IUPAC name is N-(oxan-4-ylmethyl)-5-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine.

Molecular Properties

Compound NameN-(oxan-4-ylmethyl)-5-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
PubChem CID58285518
Molecular FormulaC14H16N4OS2
Molecular Weight320.44 g/mol
Exact Mass320.08
IUPAC NameN-(oxan-4-ylmethyl)-5-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESc1csc(-c2cnc3sc(NCC4CCOCC4)nn23)c1
InChIInChI=1S/C14H16N4OS2/c1-2-12(20-7-1)11-9-16-14-18(11)17-13(21-14)15-8-10-3-5-19-6-4-10/h1-2,7,9-10H,3-6,8H2,(H,15,17)
InChIKeyLVVHGBHCFCKIPX-UHFFFAOYSA-N
XLogP3.36
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-ylmethyl)-5-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The IUPAC name of N-(oxan-4-ylmethyl)-5-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine (CID 58285518) is N-(oxan-4-ylmethyl)-5-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine.
What is the SMILES notation for N-(oxan-4-ylmethyl)-5-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The canonical SMILES for N-(oxan-4-ylmethyl)-5-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine is c1csc(-c2cnc3sc(NCC4CCOCC4)nn23)c1.
What is the InChIKey of N-(oxan-4-ylmethyl)-5-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The InChIKey is LVVHGBHCFCKIPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4OS2/c1-2-12(20-7-1)11-9-16-14-18(11)17-13(21-14)15-8-10-3-5-19-6-4-10/h1-2,7,9-10H,3-6,8H2,(H,15,17).
What are the key properties of N-(oxan-4-ylmethyl)-5-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine?
N-(oxan-4-ylmethyl)-5-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine has a molecular weight of 320.44 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-ylmethyl)-5-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine is sourced from PubChem (CID 58285518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).