N-(4-chlorophenyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine

C9H5ClF3N3S — CID 2725663

IUPACN-(4-chlorophenyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
SMILESFC(F)(F)c1nnc(Nc2ccc(Cl)cc2)s1
InChIInChI=1S/C9H5ClF3N3S/c10-5-1-3-6(4-2-5)14-8-16-15-7(17-8)9(11,12)13/h1-4H,(H,14,16)
InChIKeyJPHOMPNOKNRQQR-UHFFFAOYSA-N
MW279.67 g/mol
LogP3.95
Rot. Bonds2

About N-(4-chlorophenyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine

N-(4-chlorophenyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 2725663) has the molecular formula C9H5ClF3N3S and a molecular weight of 279.67 g/mol. Its IUPAC name is N-(4-chlorophenyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-(4-chlorophenyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
PubChem CID2725663
Molecular FormulaC9H5ClF3N3S
Molecular Weight279.67 g/mol
Exact Mass278.98
IUPAC NameN-(4-chlorophenyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
SMILESFC(F)(F)c1nnc(Nc2ccc(Cl)cc2)s1
InChIInChI=1S/C9H5ClF3N3S/c10-5-1-3-6(4-2-5)14-8-16-15-7(17-8)9(11,12)13/h1-4H,(H,14,16)
InChIKeyJPHOMPNOKNRQQR-UHFFFAOYSA-N
XLogP3.95
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.67
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-(4-chlorophenyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine (CID 2725663) is N-(4-chlorophenyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-(4-chlorophenyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-(4-chlorophenyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine is FC(F)(F)c1nnc(Nc2ccc(Cl)cc2)s1.
What is the InChIKey of N-(4-chlorophenyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is JPHOMPNOKNRQQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClF3N3S/c10-5-1-3-6(4-2-5)14-8-16-15-7(17-8)9(11,12)13/h1-4H,(H,14,16).
What are the key properties of N-(4-chlorophenyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
N-(4-chlorophenyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 279.67 g/mol, XLogP of 3.95, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 2725663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).