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

C9H10F3N5S — CID 125461567

IUPAC5-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,3,4-thiadiazol-2-amine
SMILESCc1cc(C(F)(F)F)nn1CCc1nnc(N)s1
InChIInChI=1S/C9H10F3N5S/c1-5-4-6(9(10,11)12)16-17(5)3-2-7-14-15-8(13)18-7/h4H,2-3H2,1H3,(H2,13,15)
InChIKeyCNDJBQXOWNKJKK-UHFFFAOYSA-N
MW277.28 g/mol
LogP1.89
Rot. Bonds3

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

5-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,3,4-thiadiazol-2-amine (PubChem CID 125461567) has the molecular formula C9H10F3N5S and a molecular weight of 277.28 g/mol. Its IUPAC name is 5-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,3,4-thiadiazol-2-amine
PubChem CID125461567
Molecular FormulaC9H10F3N5S
Molecular Weight277.28 g/mol
Exact Mass277.06
IUPAC Name5-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,3,4-thiadiazol-2-amine
SMILESCc1cc(C(F)(F)F)nn1CCc1nnc(N)s1
InChIInChI=1S/C9H10F3N5S/c1-5-4-6(9(10,11)12)16-17(5)3-2-7-14-15-8(13)18-7/h4H,2-3H2,1H3,(H2,13,15)
InChIKeyCNDJBQXOWNKJKK-UHFFFAOYSA-N
XLogP1.89
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 132969405
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CID 89742474
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CID 4862590
CID 4862590
CID 36477810
CID 36477810
CID 114448088
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CID 114450428
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CID 118789885
CID 118789885

Frequently Asked Questions

What is the IUPAC name of 5-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,3,4-thiadiazol-2-amine (CID 125461567) is 5-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,3,4-thiadiazol-2-amine is Cc1cc(C(F)(F)F)nn1CCc1nnc(N)s1.
What is the InChIKey of 5-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is CNDJBQXOWNKJKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N5S/c1-5-4-6(9(10,11)12)16-17(5)3-2-7-14-15-8(13)18-7/h4H,2-3H2,1H3,(H2,13,15).
What are the key properties of 5-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,3,4-thiadiazol-2-amine?
5-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 277.28 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 125461567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).