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

C8H7F3N4S2 — CID 114448579

IUPACN-[2-(1,3-thiazol-4-yl)ethyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
SMILESFC(F)(F)c1nnc(NCCc2cscn2)s1
InChIInChI=1S/C8H7F3N4S2/c9-8(10,11)6-14-15-7(17-6)12-2-1-5-3-16-4-13-5/h3-4H,1-2H2,(H,12,15)
InChIKeyXNEJPVRKFHSESS-UHFFFAOYSA-N
MW280.30 g/mol
LogP2.67
Rot. Bonds4

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

N-[2-(1,3-thiazol-4-yl)ethyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 114448579) has the molecular formula C8H7F3N4S2 and a molecular weight of 280.30 g/mol. Its IUPAC name is N-[2-(1,3-thiazol-4-yl)ethyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-[2-(1,3-thiazol-4-yl)ethyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
PubChem CID114448579
Molecular FormulaC8H7F3N4S2
Molecular Weight280.30 g/mol
Exact Mass280.01
IUPAC NameN-[2-(1,3-thiazol-4-yl)ethyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
SMILESFC(F)(F)c1nnc(NCCc2cscn2)s1
InChIInChI=1S/C8H7F3N4S2/c9-8(10,11)6-14-15-7(17-6)12-2-1-5-3-16-4-13-5/h3-4H,1-2H2,(H,12,15)
InChIKeyXNEJPVRKFHSESS-UHFFFAOYSA-N
XLogP2.67
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-thiazol-4-yl)ethyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-[2-(1,3-thiazol-4-yl)ethyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine (CID 114448579) is N-[2-(1,3-thiazol-4-yl)ethyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-[2-(1,3-thiazol-4-yl)ethyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-[2-(1,3-thiazol-4-yl)ethyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine is FC(F)(F)c1nnc(NCCc2cscn2)s1.
What is the InChIKey of N-[2-(1,3-thiazol-4-yl)ethyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is XNEJPVRKFHSESS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N4S2/c9-8(10,11)6-14-15-7(17-6)12-2-1-5-3-16-4-13-5/h3-4H,1-2H2,(H,12,15).
What are the key properties of N-[2-(1,3-thiazol-4-yl)ethyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
N-[2-(1,3-thiazol-4-yl)ethyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 280.30 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-thiazol-4-yl)ethyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 114448579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).