N-[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfanylphenyl]-1,3-thiazol-2-amine

C16H10ClF3N2S2 — CID 144571941

IUPACN-[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfanylphenyl]-1,3-thiazol-2-amine
SMILESFC(F)(F)c1cc(Sc2ccc(Nc3nccs3)cc2)ccc1Cl
InChIInChI=1S/C16H10ClF3N2S2/c17-14-6-5-12(9-13(14)16(18,19)20)24-11-3-1-10(2-4-11)22-15-21-7-8-23-15/h1-9H,(H,21,22)
InChIKeyFUCRJUOWQUZMKO-UHFFFAOYSA-N
MW386.85 g/mol
LogP6.71
Rot. Bonds4

About N-[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfanylphenyl]-1,3-thiazol-2-amine

N-[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfanylphenyl]-1,3-thiazol-2-amine (PubChem CID 144571941) has the molecular formula C16H10ClF3N2S2 and a molecular weight of 386.85 g/mol. Its IUPAC name is N-[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfanylphenyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfanylphenyl]-1,3-thiazol-2-amine
PubChem CID144571941
Molecular FormulaC16H10ClF3N2S2
Molecular Weight386.85 g/mol
Exact Mass385.99
IUPAC NameN-[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfanylphenyl]-1,3-thiazol-2-amine
SMILESFC(F)(F)c1cc(Sc2ccc(Nc3nccs3)cc2)ccc1Cl
InChIInChI=1S/C16H10ClF3N2S2/c17-14-6-5-12(9-13(14)16(18,19)20)24-11-3-1-10(2-4-11)22-15-21-7-8-23-15/h1-9H,(H,21,22)
InChIKeyFUCRJUOWQUZMKO-UHFFFAOYSA-N
XLogP6.71
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.85
LogP ≤ 56.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-N-(1,3,4-thiadiazol-2-yl)benzene-1,4-diamine
CID 73295562
N-(4-tert-butylphenyl)-1,3-thiazol-2-amine
CID 89458948
2-[4-chloro-3-(trifluoromethyl)anilino]-1,3-thiazole-4-carboxylic acid
CID 59802438
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine
CID 58791500
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-propan-2-ylpyrimidin-2-amine
CID 59137406
N-(3-fluoro-4-methylphenyl)-1,3-thiazol-2-amine
CID 87538093
1-chloro-4-ethylsulfanyl-2-(trifluoromethyl)benzene
CID 91876352
2-methyl-4-N-(1,3-thiazol-2-yl)benzene-1,4-diamine
CID 164658462
N-[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylphenyl]-1,3,4-oxadiazol-2-amine
CID 73295729
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(2-methoxyphenyl)-1,3-thiazol-2-amine
CID 58910459
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[(3-fluoro-2-oxo-1H-imidazo[4,5-b]pyridin-7-yl)sulfanyl]phenyl]urea
CID 166959346
4-N-tert-butyl-6-N-[4-chloro-3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 112863845

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfanylphenyl]-1,3-thiazol-2-amine?
The IUPAC name of N-[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfanylphenyl]-1,3-thiazol-2-amine (CID 144571941) is N-[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfanylphenyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfanylphenyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfanylphenyl]-1,3-thiazol-2-amine is FC(F)(F)c1cc(Sc2ccc(Nc3nccs3)cc2)ccc1Cl.
What is the InChIKey of N-[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfanylphenyl]-1,3-thiazol-2-amine?
The InChIKey is FUCRJUOWQUZMKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClF3N2S2/c17-14-6-5-12(9-13(14)16(18,19)20)24-11-3-1-10(2-4-11)22-15-21-7-8-23-15/h1-9H,(H,21,22).
What are the key properties of N-[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfanylphenyl]-1,3-thiazol-2-amine?
N-[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfanylphenyl]-1,3-thiazol-2-amine has a molecular weight of 386.85 g/mol, XLogP of 6.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfanylphenyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 144571941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).