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

C14H15N5S — CID 82528778

IUPACN-methyl-5-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]-1,3,4-thiadiazol-2-amine
SMILESCNc1nnc(-c2cnn(-c3ccccc3C)c2C)s1
InChIInChI=1S/C14H15N5S/c1-9-6-4-5-7-12(9)19-10(2)11(8-16-19)13-17-18-14(15-3)20-13/h4-8H,1-3H3,(H,15,18)
InChIKeyYSGDSRXMGIOUKG-UHFFFAOYSA-N
MW285.38 g/mol
LogP3.05
Rot. Bonds3

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

N-methyl-5-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]-1,3,4-thiadiazol-2-amine (PubChem CID 82528778) has the molecular formula C14H15N5S and a molecular weight of 285.38 g/mol. Its IUPAC name is N-methyl-5-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-methyl-5-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]-1,3,4-thiadiazol-2-amine
PubChem CID82528778
Molecular FormulaC14H15N5S
Molecular Weight285.38 g/mol
Exact Mass285.10
IUPAC NameN-methyl-5-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]-1,3,4-thiadiazol-2-amine
SMILESCNc1nnc(-c2cnn(-c3ccccc3C)c2C)s1
InChIInChI=1S/C14H15N5S/c1-9-6-4-5-7-12(9)19-10(2)11(8-16-19)13-17-18-14(15-3)20-13/h4-8H,1-3H3,(H,15,18)
InChIKeyYSGDSRXMGIOUKG-UHFFFAOYSA-N
XLogP3.05
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[1-(2,6-dimethylphenyl)-5-methylpyrazol-4-yl]-N-methyl-1,3,4-thiadiazol-2-amine
CID 82528496
5-[1-(2-ethylphenyl)-5-methylpyrazol-4-yl]-N-methyl-1,3,4-thiadiazol-2-amine
CID 82528696
N-ethyl-5-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-1,3,4-thiadiazol-2-amine
CID 82528402
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
4-[1-(2-chlorophenyl)-5-methylpyrazol-4-yl]-N-methyl-1,3-thiazol-2-amine
CID 82528304
N-ethyl-5-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-1,3,4-thiadiazol-2-amine
CID 82528380
4-[1-(2,5-dimethylphenyl)-5-methylpyrazol-4-yl]-N-methyl-1,3-thiazol-2-amine
CID 82528526
N-methyl-5-(2-methyl-3-pyridinyl)-1,3,4-thiadiazol-2-amine
CID 82452060
5-[5-methyl-1-(4-methylphenyl)pyrazol-4-yl]-1,3,4-thiadiazol-2-amine
CID 82528730
N-methyl-5-(2-methylquinolin-4-yl)-1,3,4-thiadiazol-2-amine
CID 82447733
2,5-bis(2-methylphenyl)-1,3,4-thiadiazole
CID 139674338

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-methyl-5-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]-1,3,4-thiadiazol-2-amine (CID 82528778) is N-methyl-5-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-methyl-5-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-methyl-5-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]-1,3,4-thiadiazol-2-amine is CNc1nnc(-c2cnn(-c3ccccc3C)c2C)s1.
What is the InChIKey of N-methyl-5-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]-1,3,4-thiadiazol-2-amine?
The InChIKey is YSGDSRXMGIOUKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5S/c1-9-6-4-5-7-12(9)19-10(2)11(8-16-19)13-17-18-14(15-3)20-13/h4-8H,1-3H3,(H,15,18).
What are the key properties of N-methyl-5-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]-1,3,4-thiadiazol-2-amine?
N-methyl-5-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]-1,3,4-thiadiazol-2-amine has a molecular weight of 285.38 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 82528778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).