[2-(4-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]methanamine

C12H12N4S — CID 82478593

IUPAC[2-(4-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]methanamine
SMILESCc1ccc(-c2nn3cc(CN)nc3s2)cc1
InChIInChI=1S/C12H12N4S/c1-8-2-4-9(5-3-8)11-15-16-7-10(6-13)14-12(16)17-11/h2-5,7H,6,13H2,1H3
InChIKeyLKSADWILJHXINJ-UHFFFAOYSA-N
MW244.32 g/mol
LogP2.22
Rot. Bonds2

About [2-(4-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]methanamine

[2-(4-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]methanamine (PubChem CID 82478593) has the molecular formula C12H12N4S and a molecular weight of 244.32 g/mol. Its IUPAC name is [2-(4-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]methanamine.

Molecular Properties

Compound Name[2-(4-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]methanamine
PubChem CID82478593
Molecular FormulaC12H12N4S
Molecular Weight244.32 g/mol
Exact Mass244.08
IUPAC Name[2-(4-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]methanamine
SMILESCc1ccc(-c2nn3cc(CN)nc3s2)cc1
InChIInChI=1S/C12H12N4S/c1-8-2-4-9(5-3-8)11-15-16-7-10(6-13)14-12(16)17-11/h2-5,7H,6,13H2,1H3
InChIKeyLKSADWILJHXINJ-UHFFFAOYSA-N
XLogP2.22
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(4-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]methanamine?
The IUPAC name of [2-(4-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]methanamine (CID 82478593) is [2-(4-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]methanamine.
What is the SMILES notation for [2-(4-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]methanamine?
The canonical SMILES for [2-(4-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]methanamine is Cc1ccc(-c2nn3cc(CN)nc3s2)cc1.
What is the InChIKey of [2-(4-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]methanamine?
The InChIKey is LKSADWILJHXINJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4S/c1-8-2-4-9(5-3-8)11-15-16-7-10(6-13)14-12(16)17-11/h2-5,7H,6,13H2,1H3.
What are the key properties of [2-(4-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]methanamine?
[2-(4-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]methanamine has a molecular weight of 244.32 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]methanamine is sourced from PubChem (CID 82478593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).