N-(3,5-dichlorophenyl)-4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine

C16H9Cl2F3N2S — CID 18507812

IUPACN-(3,5-dichlorophenyl)-4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
SMILESFC(F)(F)c1ccc(-c2csc(Nc3cc(Cl)cc(Cl)c3)n2)cc1
InChIInChI=1S/C16H9Cl2F3N2S/c17-11-5-12(18)7-13(6-11)22-15-23-14(8-24-15)9-1-3-10(4-2-9)16(19,20)21/h1-8H,(H,22,23)
InChIKeyOSARRNUWKFZQKQ-UHFFFAOYSA-N
MW389.23 g/mol
LogP6.88
Rot. Bonds3

About N-(3,5-dichlorophenyl)-4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine

N-(3,5-dichlorophenyl)-4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine (PubChem CID 18507812) has the molecular formula C16H9Cl2F3N2S and a molecular weight of 389.23 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
PubChem CID18507812
Molecular FormulaC16H9Cl2F3N2S
Molecular Weight389.23 g/mol
Exact Mass387.98
IUPAC NameN-(3,5-dichlorophenyl)-4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
SMILESFC(F)(F)c1ccc(-c2csc(Nc3cc(Cl)cc(Cl)c3)n2)cc1
InChIInChI=1S/C16H9Cl2F3N2S/c17-11-5-12(18)7-13(6-11)22-15-23-14(8-24-15)9-1-3-10(4-2-9)16(19,20)21/h1-8H,(H,22,23)
InChIKeyOSARRNUWKFZQKQ-UHFFFAOYSA-N
XLogP6.88
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.23
LogP ≤ 56.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3,5-bis(trifluoromethyl)phenyl]-4-(4-chlorophenyl)-1,3-thiazol-2-amine
CID 118708822
N-(3,5-dichlorophenyl)-4-[4-(diethylamino)phenyl]-1,3-thiazol-2-amine
CID 59429719
N-[3,5-bis(trifluoromethyl)phenyl]-4-naphthalen-2-yl-1,3-thiazol-2-amine
CID 2803721
4-(4-fluorophenyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine;hydrobromide
CID 44789502
4-(4-chlorophenyl)-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-amine
CID 4149421
3-chloro-5-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]benzonitrile
CID 156506524
N-(4-chlorophenyl)-4-(4-iodophenyl)-1,3-thiazol-2-amine
CID 2193688
2-methyl-4-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]benzenesulfonamide
CID 175544581
N-(3,5-dichlorophenyl)-4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-amine;hydrobromide
CID 163342619
4-naphthalen-2-yl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
CID 2249396
N-(4-bromophenyl)-4-(4-chlorophenyl)-1,3-thiazol-2-amine
CID 3551547
4-(1-oxidopyridin-1-ium-4-yl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
CID 162457285

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
The IUPAC name of N-(3,5-dichlorophenyl)-4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine (CID 18507812) is N-(3,5-dichlorophenyl)-4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-(3,5-dichlorophenyl)-4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-(3,5-dichlorophenyl)-4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine is FC(F)(F)c1ccc(-c2csc(Nc3cc(Cl)cc(Cl)c3)n2)cc1.
What is the InChIKey of N-(3,5-dichlorophenyl)-4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
The InChIKey is OSARRNUWKFZQKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9Cl2F3N2S/c17-11-5-12(18)7-13(6-11)22-15-23-14(8-24-15)9-1-3-10(4-2-9)16(19,20)21/h1-8H,(H,22,23).
What are the key properties of N-(3,5-dichlorophenyl)-4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
N-(3,5-dichlorophenyl)-4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine has a molecular weight of 389.23 g/mol, XLogP of 6.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichlorophenyl)-4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 18507812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).