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

C16H9Cl2F3N2S — CID 122174354

IUPACN-(3-chlorophenyl)-5-(4-chlorophenyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine
SMILESFC(F)(F)c1nc(Nc2cccc(Cl)c2)sc1-c1ccc(Cl)cc1
InChIInChI=1S/C16H9Cl2F3N2S/c17-10-6-4-9(5-7-10)13-14(16(19,20)21)23-15(24-13)22-12-3-1-2-11(18)8-12/h1-8H,(H,22,23)
InChIKeyZRWPPZGSRAQMGA-UHFFFAOYSA-N
MW389.23 g/mol
LogP6.88
Rot. Bonds3

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

N-(3-chlorophenyl)-5-(4-chlorophenyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine (PubChem CID 122174354) has the molecular formula C16H9Cl2F3N2S and a molecular weight of 389.23 g/mol. Its IUPAC name is N-(3-chlorophenyl)-5-(4-chlorophenyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(3-chlorophenyl)-5-(4-chlorophenyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine
PubChem CID122174354
Molecular FormulaC16H9Cl2F3N2S
Molecular Weight389.23 g/mol
Exact Mass387.98
IUPAC NameN-(3-chlorophenyl)-5-(4-chlorophenyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine
SMILESFC(F)(F)c1nc(Nc2cccc(Cl)c2)sc1-c1ccc(Cl)cc1
InChIInChI=1S/C16H9Cl2F3N2S/c17-10-6-4-9(5-7-10)13-14(16(19,20)21)23-15(24-13)22-12-3-1-2-11(18)8-12/h1-8H,(H,22,23)
InChIKeyZRWPPZGSRAQMGA-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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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-5-(4-chlorophenyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine?
The IUPAC name of N-(3-chlorophenyl)-5-(4-chlorophenyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine (CID 122174354) is N-(3-chlorophenyl)-5-(4-chlorophenyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-(3-chlorophenyl)-5-(4-chlorophenyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-(3-chlorophenyl)-5-(4-chlorophenyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine is FC(F)(F)c1nc(Nc2cccc(Cl)c2)sc1-c1ccc(Cl)cc1.
What is the InChIKey of N-(3-chlorophenyl)-5-(4-chlorophenyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine?
The InChIKey is ZRWPPZGSRAQMGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9Cl2F3N2S/c17-10-6-4-9(5-7-10)13-14(16(19,20)21)23-15(24-13)22-12-3-1-2-11(18)8-12/h1-8H,(H,22,23).
What are the key properties of N-(3-chlorophenyl)-5-(4-chlorophenyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine?
N-(3-chlorophenyl)-5-(4-chlorophenyl)-4-(trifluoromethyl)-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-chlorophenyl)-5-(4-chlorophenyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 122174354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).