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

C12H12N4S2 — CID 98020365

IUPAC[2-(4-methylsulfanylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]methanamine
SMILESCSc1ccc(-c2nn3cc(CN)nc3s2)cc1
InChIInChI=1S/C12H12N4S2/c1-17-10-4-2-8(3-5-10)11-15-16-7-9(6-13)14-12(16)18-11/h2-5,7H,6,13H2,1H3
InChIKeyKCKJKJVMAIAXGI-UHFFFAOYSA-N
MW276.39 g/mol
LogP2.64
Rot. Bonds3

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

[2-(4-methylsulfanylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]methanamine (PubChem CID 98020365) has the molecular formula C12H12N4S2 and a molecular weight of 276.39 g/mol. Its IUPAC name is [2-(4-methylsulfanylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]methanamine.

Molecular Properties

Compound Name[2-(4-methylsulfanylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]methanamine
PubChem CID98020365
Molecular FormulaC12H12N4S2
Molecular Weight276.39 g/mol
Exact Mass276.05
IUPAC Name[2-(4-methylsulfanylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]methanamine
SMILESCSc1ccc(-c2nn3cc(CN)nc3s2)cc1
InChIInChI=1S/C12H12N4S2/c1-17-10-4-2-8(3-5-10)11-15-16-7-9(6-13)14-12(16)18-11/h2-5,7H,6,13H2,1H3
InChIKeyKCKJKJVMAIAXGI-UHFFFAOYSA-N
XLogP2.64
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.39
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(4-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]methanamine
CID 82478593
[2-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]methanamine
CID 82484599
4-[6-(aminomethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-N,N-dimethylaniline
CID 96670698
[2-(4-methoxy-3-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]methanamine
CID 96669638
(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methanamine;hydrochloride
CID 82020552
[4-methyl-2-(4-methylsulfanylphenyl)-1,3-thiazol-5-yl]methanamine
CID 106849619
(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methanamine;hydrate;dihydrochloride
CID 47000658
2-bromo-6-(4-methylsulfanylphenyl)imidazo[2,1-b][1,3,4]thiadiazole;2,2-dimethylpropane
CID 145380200
2-[2-(3-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]ethanamine
CID 28808717
2-[5-(4-methylsulfanylphenyl)-1,3,4-thiadiazol-2-yl]ethanamine
CID 79205794
ethyl 5-methyl-2-(4-methylsulfanylphenyl)-1,3-thiazole-4-carboxylate
CID 116526123
[3-methyl-5-(4-methylsulfanylphenyl)-1,2-oxazol-4-yl]methanamine
CID 82475978

Frequently Asked Questions

What is the IUPAC name of [2-(4-methylsulfanylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]methanamine?
The IUPAC name of [2-(4-methylsulfanylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]methanamine (CID 98020365) is [2-(4-methylsulfanylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]methanamine.
What is the SMILES notation for [2-(4-methylsulfanylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]methanamine?
The canonical SMILES for [2-(4-methylsulfanylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]methanamine is CSc1ccc(-c2nn3cc(CN)nc3s2)cc1.
What is the InChIKey of [2-(4-methylsulfanylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]methanamine?
The InChIKey is KCKJKJVMAIAXGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4S2/c1-17-10-4-2-8(3-5-10)11-15-16-7-9(6-13)14-12(16)18-11/h2-5,7H,6,13H2,1H3.
What are the key properties of [2-(4-methylsulfanylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]methanamine?
[2-(4-methylsulfanylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]methanamine has a molecular weight of 276.39 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methylsulfanylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]methanamine is sourced from PubChem (CID 98020365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).