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

C8H8F3N5S — CID 75505626

IUPACN-[(2-methylpyrazol-3-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
SMILESCn1nccc1CNc1nnc(C(F)(F)F)s1
InChIInChI=1S/C8H8F3N5S/c1-16-5(2-3-13-16)4-12-7-15-14-6(17-7)8(9,10)11/h2-3H,4H2,1H3,(H,12,15)
InChIKeyZRZQXCIHIJMWJK-UHFFFAOYSA-N
MW263.25 g/mol
LogP1.90
Rot. Bonds3

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

N-[(2-methylpyrazol-3-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 75505626) has the molecular formula C8H8F3N5S and a molecular weight of 263.25 g/mol. Its IUPAC name is N-[(2-methylpyrazol-3-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-[(2-methylpyrazol-3-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
PubChem CID75505626
Molecular FormulaC8H8F3N5S
Molecular Weight263.25 g/mol
Exact Mass263.05
IUPAC NameN-[(2-methylpyrazol-3-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
SMILESCn1nccc1CNc1nnc(C(F)(F)F)s1
InChIInChI=1S/C8H8F3N5S/c1-16-5(2-3-13-16)4-12-7-15-14-6(17-7)8(9,10)11/h2-3H,4H2,1H3,(H,12,15)
InChIKeyZRZQXCIHIJMWJK-UHFFFAOYSA-N
XLogP1.90
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 2524121
5-(1-methyl-1H-pyrazol-5-yl)-1,3,4-thiadiazol-2-amine
CID 62920978
N-ethyl-5-[(2-methylpyrazol-3-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 119043130
5-[5-(Difluoromethyl)pyrazol-1-yl]-1,3,4-thiadiazol-2-amine
CID 171818983
2-[5-(Difluoromethyl)pyrazol-1-yl]-5-(trifluoromethyl)-1,3,4-thiadiazole
CID 173589709
2-(5-Methylpyrazol-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole
CID 173589738
2-[5-(Difluoromethyl)pyrazol-1-yl]-5-methyl-1,3,4-thiadiazole
CID 173589747
5-{[3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]methyl}-N-(1,3-dimethyl-1H-pyrazol-4-yl)-1,3,4-thiadiazol-2-amine
CID 4862482
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 30246197
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 30257998
N-(5-pentyl-1,3,4-thiadiazol-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 30280051
N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 32624311

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylpyrazol-3-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-[(2-methylpyrazol-3-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine (CID 75505626) is N-[(2-methylpyrazol-3-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-[(2-methylpyrazol-3-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-[(2-methylpyrazol-3-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine is Cn1nccc1CNc1nnc(C(F)(F)F)s1.
What is the InChIKey of N-[(2-methylpyrazol-3-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is ZRZQXCIHIJMWJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N5S/c1-16-5(2-3-13-16)4-12-7-15-14-6(17-7)8(9,10)11/h2-3H,4H2,1H3,(H,12,15).
What are the key properties of N-[(2-methylpyrazol-3-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
N-[(2-methylpyrazol-3-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 263.25 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylpyrazol-3-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 75505626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).