6-tert-butyl-N-(1,3-thiazol-4-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine

C12H15N5S2 — CID 49430822

IUPAC6-tert-butyl-N-(1,3-thiazol-4-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESCC(C)(C)c1cn2nc(NCc3cscn3)sc2n1
InChIInChI=1S/C12H15N5S2/c1-12(2,3)9-5-17-11(15-9)19-10(16-17)13-4-8-6-18-7-14-8/h5-7H,4H2,1-3H3,(H,13,16)
InChIKeyRGQKXLKOTKARTQ-UHFFFAOYSA-N
MW293.42 g/mol
LogP3.16
Rot. Bonds3

About 6-tert-butyl-N-(1,3-thiazol-4-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine

6-tert-butyl-N-(1,3-thiazol-4-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine (PubChem CID 49430822) has the molecular formula C12H15N5S2 and a molecular weight of 293.42 g/mol. Its IUPAC name is 6-tert-butyl-N-(1,3-thiazol-4-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine.

Molecular Properties

Compound Name6-tert-butyl-N-(1,3-thiazol-4-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
PubChem CID49430822
Molecular FormulaC12H15N5S2
Molecular Weight293.42 g/mol
Exact Mass293.08
IUPAC Name6-tert-butyl-N-(1,3-thiazol-4-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESCC(C)(C)c1cn2nc(NCc3cscn3)sc2n1
InChIInChI=1S/C12H15N5S2/c1-12(2,3)9-5-17-11(15-9)19-10(16-17)13-4-8-6-18-7-14-8/h5-7H,4H2,1-3H3,(H,13,16)
InChIKeyRGQKXLKOTKARTQ-UHFFFAOYSA-N
XLogP3.16
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.42
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-tert-butyl-N-(1,3-thiazol-4-ylmethyl)imidazo[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 6-tert-butyl-N-(1,3-thiazol-4-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The IUPAC name of 6-tert-butyl-N-(1,3-thiazol-4-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine (CID 49430822) is 6-tert-butyl-N-(1,3-thiazol-4-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine.
What is the SMILES notation for 6-tert-butyl-N-(1,3-thiazol-4-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The canonical SMILES for 6-tert-butyl-N-(1,3-thiazol-4-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine is CC(C)(C)c1cn2nc(NCc3cscn3)sc2n1.
What is the InChIKey of 6-tert-butyl-N-(1,3-thiazol-4-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The InChIKey is RGQKXLKOTKARTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5S2/c1-12(2,3)9-5-17-11(15-9)19-10(16-17)13-4-8-6-18-7-14-8/h5-7H,4H2,1-3H3,(H,13,16).
What are the key properties of 6-tert-butyl-N-(1,3-thiazol-4-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
6-tert-butyl-N-(1,3-thiazol-4-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine has a molecular weight of 293.42 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-N-(1,3-thiazol-4-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine is sourced from PubChem (CID 49430822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).