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

C16H16N6S — CID 35417931

IUPAC6-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESCc1cn2nc(NCc3ccccc3Cn3cccn3)sc2n1
InChIInChI=1S/C16H16N6S/c1-12-10-22-16(19-12)23-15(20-22)17-9-13-5-2-3-6-14(13)11-21-8-4-7-18-21/h2-8,10H,9,11H2,1H3,(H,17,20)
InChIKeyLKLWKAWCQSIMJJ-UHFFFAOYSA-N
MW324.41 g/mol
LogP2.96
Rot. Bonds5

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

6-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine (PubChem CID 35417931) has the molecular formula C16H16N6S and a molecular weight of 324.41 g/mol. Its IUPAC name is 6-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine.

Molecular Properties

Compound Name6-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
PubChem CID35417931
Molecular FormulaC16H16N6S
Molecular Weight324.41 g/mol
Exact Mass324.12
IUPAC Name6-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESCc1cn2nc(NCc3ccccc3Cn3cccn3)sc2n1
InChIInChI=1S/C16H16N6S/c1-12-10-22-16(19-12)23-15(20-22)17-9-13-5-2-3-6-14(13)11-21-8-4-7-18-21/h2-8,10H,9,11H2,1H3,(H,17,20)
InChIKeyLKLWKAWCQSIMJJ-UHFFFAOYSA-N
XLogP2.96
TPSA60.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-methyl-N-[(4-methylphenyl)methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 35417217
2,5-dimethyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 70788936
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 35417774
3-[[(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]methyl]phenol
CID 47293073
6-chloro-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazin-2-amine
CID 51120771
5-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-1,3,4-oxadiazol-2-amine
CID 72863266
4-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
CID 17483548
1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]urea
CID 86841729
N,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 15357579
4-N-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-1-N-phenylbenzene-1,4-diamine
CID 167862565
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-[(1S,5R)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 167749832

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The IUPAC name of 6-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine (CID 35417931) is 6-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine.
What is the SMILES notation for 6-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The canonical SMILES for 6-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine is Cc1cn2nc(NCc3ccccc3Cn3cccn3)sc2n1.
What is the InChIKey of 6-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The InChIKey is LKLWKAWCQSIMJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6S/c1-12-10-22-16(19-12)23-15(20-22)17-9-13-5-2-3-6-14(13)11-21-8-4-7-18-21/h2-8,10H,9,11H2,1H3,(H,17,20).
What are the key properties of 6-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
6-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine has a molecular weight of 324.41 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine is sourced from PubChem (CID 35417931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).