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

C12H14F3N5S — CID 4862590

IUPACN-cyclopropyl-5-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,3,4-thiadiazol-2-amine
SMILESCc1cc(C(F)(F)F)nn1CCc1nnc(NC2CC2)s1
InChIInChI=1S/C12H14F3N5S/c1-7-6-9(12(13,14)15)19-20(7)5-4-10-17-18-11(21-10)16-8-2-3-8/h6,8H,2-5H2,1H3,(H,16,18)
InChIKeyAIAKWYFRFNWGHM-UHFFFAOYSA-N
MW317.34 g/mol
LogP2.88
Rot. Bonds5

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

N-cyclopropyl-5-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,3,4-thiadiazol-2-amine (PubChem CID 4862590) has the molecular formula C12H14F3N5S and a molecular weight of 317.34 g/mol. Its IUPAC name is N-cyclopropyl-5-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-cyclopropyl-5-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,3,4-thiadiazol-2-amine
PubChem CID4862590
Molecular FormulaC12H14F3N5S
Molecular Weight317.34 g/mol
Exact Mass317.09
IUPAC NameN-cyclopropyl-5-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,3,4-thiadiazol-2-amine
SMILESCc1cc(C(F)(F)F)nn1CCc1nnc(NC2CC2)s1
InChIInChI=1S/C12H14F3N5S/c1-7-6-9(12(13,14)15)19-20(7)5-4-10-17-18-11(21-10)16-8-2-3-8/h6,8H,2-5H2,1H3,(H,16,18)
InChIKeyAIAKWYFRFNWGHM-UHFFFAOYSA-N
XLogP2.88
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-cyclopropyl-5-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,3,4-thiadiazol-2-amine (CID 4862590) is N-cyclopropyl-5-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-cyclopropyl-5-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-cyclopropyl-5-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,3,4-thiadiazol-2-amine is Cc1cc(C(F)(F)F)nn1CCc1nnc(NC2CC2)s1.
What is the InChIKey of N-cyclopropyl-5-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is AIAKWYFRFNWGHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N5S/c1-7-6-9(12(13,14)15)19-20(7)5-4-10-17-18-11(21-10)16-8-2-3-8/h6,8H,2-5H2,1H3,(H,16,18).
What are the key properties of N-cyclopropyl-5-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,3,4-thiadiazol-2-amine?
N-cyclopropyl-5-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 317.34 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 4862590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).