N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine

C18H20N6S — CID 35417774

IUPACN-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESCc1cn2nc(NCc3c(C)nn(Cc4ccccc4)c3C)sc2n1
InChIInChI=1S/C18H20N6S/c1-12-10-24-18(20-12)25-17(22-24)19-9-16-13(2)21-23(14(16)3)11-15-7-5-4-6-8-15/h4-8,10H,9,11H2,1-3H3,(H,19,22)
InChIKeyKXUGRJQJXDJRIC-UHFFFAOYSA-N
MW352.47 g/mol
LogP3.57
Rot. Bonds5

About N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine

N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine (PubChem CID 35417774) has the molecular formula C18H20N6S and a molecular weight of 352.47 g/mol. Its IUPAC name is N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine.

Molecular Properties

Compound NameN-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
PubChem CID35417774
Molecular FormulaC18H20N6S
Molecular Weight352.47 g/mol
Exact Mass352.15
IUPAC NameN-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESCc1cn2nc(NCc3c(C)nn(Cc4ccccc4)c3C)sc2n1
InChIInChI=1S/C18H20N6S/c1-12-10-24-18(20-12)25-17(22-24)19-9-16-13(2)21-23(14(16)3)11-15-7-5-4-6-8-15/h4-8,10H,9,11H2,1-3H3,(H,19,22)
InChIKeyKXUGRJQJXDJRIC-UHFFFAOYSA-N
XLogP3.57
TPSA60.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.47
LogP ≤ 53.57
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
3-[[(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]methyl]phenol
CID 47293073
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2,2-dimethylpropanamide
CID 35437972
1-benzyl-4-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3,5-dimethylpyrazole
CID 13433139
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
6-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 35417931
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-5-nitropyrimidin-2-amine
CID 133467618
1-(1,3-benzothiazol-2-yl)-3-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]urea
CID 41439102
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120969286
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-5-chlorothiophene-2-carboxamide
CID 8943603
2-amino-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]acetamide;hydrochloride
CID 119273855
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-4-tert-butylbenzamide
CID 8943315

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The IUPAC name of N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine (CID 35417774) is N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine.
What is the SMILES notation for N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The canonical SMILES for N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine is Cc1cn2nc(NCc3c(C)nn(Cc4ccccc4)c3C)sc2n1.
What is the InChIKey of N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The InChIKey is KXUGRJQJXDJRIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6S/c1-12-10-24-18(20-12)25-17(22-24)19-9-16-13(2)21-23(14(16)3)11-15-7-5-4-6-8-15/h4-8,10H,9,11H2,1-3H3,(H,19,22).
What are the key properties of N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine?
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine has a molecular weight of 352.47 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine is sourced from PubChem (CID 35417774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).