1-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-N-(1,3,4-thiadiazol-2-yl)benzene-1,4-diamine

C15H10ClF3N4S — CID 73295562

IUPAC1-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-N-(1,3,4-thiadiazol-2-yl)benzene-1,4-diamine
SMILESFC(F)(F)c1cc(Nc2ccc(Nc3nncs3)cc2)ccc1Cl
InChIInChI=1S/C15H10ClF3N4S/c16-13-6-5-11(7-12(13)15(17,18)19)21-9-1-3-10(4-2-9)22-14-23-20-8-24-14/h1-8,21H,(H,22,23)
InChIKeyWMIYGLJKCSOJFI-UHFFFAOYSA-N
MW370.79 g/mol
LogP5.70
Rot. Bonds4

About 1-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-N-(1,3,4-thiadiazol-2-yl)benzene-1,4-diamine

1-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-N-(1,3,4-thiadiazol-2-yl)benzene-1,4-diamine (PubChem CID 73295562) has the molecular formula C15H10ClF3N4S and a molecular weight of 370.79 g/mol. Its IUPAC name is 1-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-N-(1,3,4-thiadiazol-2-yl)benzene-1,4-diamine.

Molecular Properties

Compound Name1-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-N-(1,3,4-thiadiazol-2-yl)benzene-1,4-diamine
PubChem CID73295562
Molecular FormulaC15H10ClF3N4S
Molecular Weight370.79 g/mol
Exact Mass370.03
IUPAC Name1-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-N-(1,3,4-thiadiazol-2-yl)benzene-1,4-diamine
SMILESFC(F)(F)c1cc(Nc2ccc(Nc3nncs3)cc2)ccc1Cl
InChIInChI=1S/C15H10ClF3N4S/c16-13-6-5-11(7-12(13)15(17,18)19)21-9-1-3-10(4-2-9)22-14-23-20-8-24-14/h1-8,21H,(H,22,23)
InChIKeyWMIYGLJKCSOJFI-UHFFFAOYSA-N
XLogP5.70
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.79
LogP ≤ 55.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-1,2,4-triazin-6-yl]-1,3,4-thiadiazol-2-amine
CID 73295898
2-[4-chloro-3-(trifluoromethyl)anilino]-1,3-thiazole-4-carboxylic acid
CID 59802438
N-[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfanylphenyl]-1,3-thiazol-2-amine
CID 144571941
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine
CID 58791500
1-[2-[4-chloro-3-(trifluoromethyl)anilino]-4-methyl-1,3-thiazol-5-yl]ethanone
CID 118732493
N-[4-chloro-3-(trifluoromethyl)phenyl]hydroxylamine;hydrochloride
CID 23155082
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(2-methoxyphenyl)-1,3-thiazol-2-amine
CID 58910459
2-[[2-[2-[4-chloro-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]acetyl]amino]acetic acid
CID 59802435
N-[4-chloro-3-(trifluoromethyl)phenyl]-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 65036237
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-propan-2-ylpyrimidin-2-amine
CID 59137406
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(4-methylpiperazin-1-yl)-1,2,4-triazin-5-amine
CID 112946107
3-N-[4-chloro-3-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-3,5-diamine
CID 72714706

Frequently Asked Questions

What is the IUPAC name of 1-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-N-(1,3,4-thiadiazol-2-yl)benzene-1,4-diamine?
The IUPAC name of 1-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-N-(1,3,4-thiadiazol-2-yl)benzene-1,4-diamine (CID 73295562) is 1-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-N-(1,3,4-thiadiazol-2-yl)benzene-1,4-diamine.
What is the SMILES notation for 1-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-N-(1,3,4-thiadiazol-2-yl)benzene-1,4-diamine?
The canonical SMILES for 1-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-N-(1,3,4-thiadiazol-2-yl)benzene-1,4-diamine is FC(F)(F)c1cc(Nc2ccc(Nc3nncs3)cc2)ccc1Cl.
What is the InChIKey of 1-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-N-(1,3,4-thiadiazol-2-yl)benzene-1,4-diamine?
The InChIKey is WMIYGLJKCSOJFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF3N4S/c16-13-6-5-11(7-12(13)15(17,18)19)21-9-1-3-10(4-2-9)22-14-23-20-8-24-14/h1-8,21H,(H,22,23).
What are the key properties of 1-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-N-(1,3,4-thiadiazol-2-yl)benzene-1,4-diamine?
1-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-N-(1,3,4-thiadiazol-2-yl)benzene-1,4-diamine has a molecular weight of 370.79 g/mol, XLogP of 5.70, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-N-(1,3,4-thiadiazol-2-yl)benzene-1,4-diamine is sourced from PubChem (CID 73295562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).