5-[5-methyl-1-(4-methylphenyl)pyrazol-4-yl]-1,3,4-thiadiazol-2-amine

C13H13N5S — CID 82528730

IUPAC5-[5-methyl-1-(4-methylphenyl)pyrazol-4-yl]-1,3,4-thiadiazol-2-amine
SMILESCc1ccc(-n2ncc(-c3nnc(N)s3)c2C)cc1
InChIInChI=1S/C13H13N5S/c1-8-3-5-10(6-4-8)18-9(2)11(7-15-18)12-16-17-13(14)19-12/h3-7H,1-2H3,(H2,14,17)
InChIKeyKISZAYNNVBAACE-UHFFFAOYSA-N
MW271.35 g/mol
LogP2.59
Rot. Bonds2

About 5-[5-methyl-1-(4-methylphenyl)pyrazol-4-yl]-1,3,4-thiadiazol-2-amine

5-[5-methyl-1-(4-methylphenyl)pyrazol-4-yl]-1,3,4-thiadiazol-2-amine (PubChem CID 82528730) has the molecular formula C13H13N5S and a molecular weight of 271.35 g/mol. Its IUPAC name is 5-[5-methyl-1-(4-methylphenyl)pyrazol-4-yl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[5-methyl-1-(4-methylphenyl)pyrazol-4-yl]-1,3,4-thiadiazol-2-amine
PubChem CID82528730
Molecular FormulaC13H13N5S
Molecular Weight271.35 g/mol
Exact Mass271.09
IUPAC Name5-[5-methyl-1-(4-methylphenyl)pyrazol-4-yl]-1,3,4-thiadiazol-2-amine
SMILESCc1ccc(-n2ncc(-c3nnc(N)s3)c2C)cc1
InChIInChI=1S/C13H13N5S/c1-8-3-5-10(6-4-8)18-9(2)11(7-15-18)12-16-17-13(14)19-12/h3-7H,1-2H3,(H2,14,17)
InChIKeyKISZAYNNVBAACE-UHFFFAOYSA-N
XLogP2.59
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[1-(2,4-dimethylphenyl)-5-methylpyrazol-4-yl]-1,3,4-thiadiazol-2-amine
CID 82528550
5-[1-(2,5-dimethylphenyl)-5-methylpyrazol-4-yl]-1,3,4-thiadiazol-2-amine
CID 82528529
N-ethyl-5-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-1,3,4-thiadiazol-2-amine
CID 82528380
5-(2,5-dimethylphenyl)-1,3,4-thiadiazol-2-amine
CID 14091156
5-(2-iodo-5-methylphenyl)-1,3,4-thiadiazol-2-amine
CID 130052770
5-[1-(2,6-dimethylphenyl)-5-methylpyrazol-4-yl]-N-methyl-1,3,4-thiadiazol-2-amine
CID 82528496
N-methyl-5-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]-1,3,4-thiadiazol-2-amine
CID 82528778
5-(2-iodo-3-methylphenyl)-1,3,4-thiadiazol-2-amine
CID 103863145
[5-amino-1-(4-methylphenyl)pyrazol-4-yl]methanol
CID 115069463
6-(5-methyl-1-phenylpyrazol-4-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 985779
4-(4,5-dihydro-1H-imidazol-2-yl)-1-(4-methylphenyl)pyrazol-5-amine
CID 4780564
5-[1-(2-ethylphenyl)-5-methylpyrazol-4-yl]-N-methyl-1,3,4-thiadiazol-2-amine
CID 82528696

Frequently Asked Questions

What is the IUPAC name of 5-[5-methyl-1-(4-methylphenyl)pyrazol-4-yl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[5-methyl-1-(4-methylphenyl)pyrazol-4-yl]-1,3,4-thiadiazol-2-amine (CID 82528730) is 5-[5-methyl-1-(4-methylphenyl)pyrazol-4-yl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[5-methyl-1-(4-methylphenyl)pyrazol-4-yl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[5-methyl-1-(4-methylphenyl)pyrazol-4-yl]-1,3,4-thiadiazol-2-amine is Cc1ccc(-n2ncc(-c3nnc(N)s3)c2C)cc1.
What is the InChIKey of 5-[5-methyl-1-(4-methylphenyl)pyrazol-4-yl]-1,3,4-thiadiazol-2-amine?
The InChIKey is KISZAYNNVBAACE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5S/c1-8-3-5-10(6-4-8)18-9(2)11(7-15-18)12-16-17-13(14)19-12/h3-7H,1-2H3,(H2,14,17).
What are the key properties of 5-[5-methyl-1-(4-methylphenyl)pyrazol-4-yl]-1,3,4-thiadiazol-2-amine?
5-[5-methyl-1-(4-methylphenyl)pyrazol-4-yl]-1,3,4-thiadiazol-2-amine has a molecular weight of 271.35 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-methyl-1-(4-methylphenyl)pyrazol-4-yl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 82528730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).