5-[1-(2,5-dimethylphenyl)-5-methylpyrazol-4-yl]-1,3,4-thiadiazol-2-amine

C14H15N5S — CID 82528529

IUPAC5-[1-(2,5-dimethylphenyl)-5-methylpyrazol-4-yl]-1,3,4-thiadiazol-2-amine
SMILESCc1ccc(C)c(-n2ncc(-c3nnc(N)s3)c2C)c1
InChIInChI=1S/C14H15N5S/c1-8-4-5-9(2)12(6-8)19-10(3)11(7-16-19)13-17-18-14(15)20-13/h4-7H,1-3H3,(H2,15,18)
InChIKeyJLTBNYXWDKFJGD-UHFFFAOYSA-N
MW285.38 g/mol
LogP2.90
Rot. Bonds2

About 5-[1-(2,5-dimethylphenyl)-5-methylpyrazol-4-yl]-1,3,4-thiadiazol-2-amine

5-[1-(2,5-dimethylphenyl)-5-methylpyrazol-4-yl]-1,3,4-thiadiazol-2-amine (PubChem CID 82528529) has the molecular formula C14H15N5S and a molecular weight of 285.38 g/mol. Its IUPAC name is 5-[1-(2,5-dimethylphenyl)-5-methylpyrazol-4-yl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[1-(2,5-dimethylphenyl)-5-methylpyrazol-4-yl]-1,3,4-thiadiazol-2-amine
PubChem CID82528529
Molecular FormulaC14H15N5S
Molecular Weight285.38 g/mol
Exact Mass285.10
IUPAC Name5-[1-(2,5-dimethylphenyl)-5-methylpyrazol-4-yl]-1,3,4-thiadiazol-2-amine
SMILESCc1ccc(C)c(-n2ncc(-c3nnc(N)s3)c2C)c1
InChIInChI=1S/C14H15N5S/c1-8-4-5-9(2)12(6-8)19-10(3)11(7-16-19)13-17-18-14(15)20-13/h4-7H,1-3H3,(H2,15,18)
InChIKeyJLTBNYXWDKFJGD-UHFFFAOYSA-N
XLogP2.90
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 52.90
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-[5-methyl-1-(4-methylphenyl)pyrazol-4-yl]-1,3,4-thiadiazol-2-amine
CID 82528730
5-(2,5-dimethylphenyl)-1,3,4-thiadiazol-2-amine
CID 14091156
4-[1-(2,5-dimethylphenyl)-5-methylpyrazol-4-yl]-N-methyl-1,3-thiazol-2-amine
CID 82528526
N-methyl-5-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]-1,3,4-thiadiazol-2-amine
CID 82528778
5-(2-iodo-5-methylphenyl)-1,3,4-thiadiazol-2-amine
CID 130052770
1-(2,4-dimethylphenyl)-5-methylpyrazol-4-amine
CID 60865980
5-(difluoromethyl)-1-(2,5-dimethylphenyl)pyrazol-4-amine
CID 66441226
1-(2,5-dimethylphenyl)-5-(trifluoromethyl)pyrazol-4-amine
CID 66441025
2-(2,5-dimethylphenyl)pyrazol-3-amine
CID 43316773
2-[[1-(2,5-dimethylphenyl)-5-methylpyrazol-4-yl]amino]propanamide
CID 86802649
1-(2,5-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 55142743

Frequently Asked Questions

What is the IUPAC name of 5-[1-(2,5-dimethylphenyl)-5-methylpyrazol-4-yl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[1-(2,5-dimethylphenyl)-5-methylpyrazol-4-yl]-1,3,4-thiadiazol-2-amine (CID 82528529) is 5-[1-(2,5-dimethylphenyl)-5-methylpyrazol-4-yl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[1-(2,5-dimethylphenyl)-5-methylpyrazol-4-yl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[1-(2,5-dimethylphenyl)-5-methylpyrazol-4-yl]-1,3,4-thiadiazol-2-amine is Cc1ccc(C)c(-n2ncc(-c3nnc(N)s3)c2C)c1.
What is the InChIKey of 5-[1-(2,5-dimethylphenyl)-5-methylpyrazol-4-yl]-1,3,4-thiadiazol-2-amine?
The InChIKey is JLTBNYXWDKFJGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5S/c1-8-4-5-9(2)12(6-8)19-10(3)11(7-16-19)13-17-18-14(15)20-13/h4-7H,1-3H3,(H2,15,18).
What are the key properties of 5-[1-(2,5-dimethylphenyl)-5-methylpyrazol-4-yl]-1,3,4-thiadiazol-2-amine?
5-[1-(2,5-dimethylphenyl)-5-methylpyrazol-4-yl]-1,3,4-thiadiazol-2-amine has a molecular weight of 285.38 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2,5-dimethylphenyl)-5-methylpyrazol-4-yl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 82528529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).