6-methyl-N-[(4-methylphenyl)methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine

C13H14N4S — CID 35417217

IUPAC6-methyl-N-[(4-methylphenyl)methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESCc1ccc(CNc2nn3cc(C)nc3s2)cc1
InChIInChI=1S/C13H14N4S/c1-9-3-5-11(6-4-9)7-14-12-16-17-8-10(2)15-13(17)18-12/h3-6,8H,7H2,1-2H3,(H,14,16)
InChIKeyUYNTWXVALRUQFH-UHFFFAOYSA-N
MW258.35 g/mol
LogP3.02
Rot. Bonds3

About 6-methyl-N-[(4-methylphenyl)methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine

6-methyl-N-[(4-methylphenyl)methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine (PubChem CID 35417217) has the molecular formula C13H14N4S and a molecular weight of 258.35 g/mol. Its IUPAC name is 6-methyl-N-[(4-methylphenyl)methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine.

Molecular Properties

Compound Name6-methyl-N-[(4-methylphenyl)methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
PubChem CID35417217
Molecular FormulaC13H14N4S
Molecular Weight258.35 g/mol
Exact Mass258.09
IUPAC Name6-methyl-N-[(4-methylphenyl)methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESCc1ccc(CNc2nn3cc(C)nc3s2)cc1
InChIInChI=1S/C13H14N4S/c1-9-3-5-11(6-4-9)7-14-12-16-17-8-10(2)15-13(17)18-12/h3-6,8H,7H2,1-2H3,(H,14,16)
InChIKeyUYNTWXVALRUQFH-UHFFFAOYSA-N
XLogP3.02
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]methyl]phenol
CID 47293073
N-[(2R)-butan-2-yl]-4-[[(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]methyl]benzamide
CID 94431772
N,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 15357579
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 35417774
6-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 35417931
N-[[4-(dimethylamino)phenyl]methyl]-6-(6-methoxy-3-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 67221391
6-(4-chlorophenyl)-N-[[4-(dimethylamino)phenyl]methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 67221786
6-methyl-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 48736147
N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 56788915
N-[(4-fluorophenyl)methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 67335635
6-methyl-N-(3-phenoxypropyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 47164504
N-benzyl-6-[2-(dimethylamino)phenyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 67221229

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[(4-methylphenyl)methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The IUPAC name of 6-methyl-N-[(4-methylphenyl)methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine (CID 35417217) is 6-methyl-N-[(4-methylphenyl)methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine.
What is the SMILES notation for 6-methyl-N-[(4-methylphenyl)methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The canonical SMILES for 6-methyl-N-[(4-methylphenyl)methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine is Cc1ccc(CNc2nn3cc(C)nc3s2)cc1.
What is the InChIKey of 6-methyl-N-[(4-methylphenyl)methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The InChIKey is UYNTWXVALRUQFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4S/c1-9-3-5-11(6-4-9)7-14-12-16-17-8-10(2)15-13(17)18-12/h3-6,8H,7H2,1-2H3,(H,14,16).
What are the key properties of 6-methyl-N-[(4-methylphenyl)methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
6-methyl-N-[(4-methylphenyl)methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine has a molecular weight of 258.35 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[(4-methylphenyl)methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine is sourced from PubChem (CID 35417217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).