4-(4-chlorophenyl)-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-amine

C16H10ClF3N2OS — CID 4149421

IUPAC4-(4-chlorophenyl)-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-amine
SMILESFC(F)(F)Oc1ccc(Nc2nc(-c3ccc(Cl)cc3)cs2)cc1
InChIInChI=1S/C16H10ClF3N2OS/c17-11-3-1-10(2-4-11)14-9-24-15(22-14)21-12-5-7-13(8-6-12)23-16(18,19)20/h1-9H,(H,21,22)
InChIKeyATKFEZCZQVWLFQ-UHFFFAOYSA-N
MW370.78 g/mol
LogP6.11
Rot. Bonds4

About 4-(4-chlorophenyl)-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-amine

4-(4-chlorophenyl)-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-amine (PubChem CID 4149421) has the molecular formula C16H10ClF3N2OS and a molecular weight of 370.78 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-amine
PubChem CID4149421
Molecular FormulaC16H10ClF3N2OS
Molecular Weight370.78 g/mol
Exact Mass370.02
IUPAC Name4-(4-chlorophenyl)-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-amine
SMILESFC(F)(F)Oc1ccc(Nc2nc(-c3ccc(Cl)cc3)cs2)cc1
InChIInChI=1S/C16H10ClF3N2OS/c17-11-3-1-10(2-4-11)14-9-24-15(22-14)21-12-5-7-13(8-6-12)23-16(18,19)20/h1-9H,(H,21,22)
InChIKeyATKFEZCZQVWLFQ-UHFFFAOYSA-N
XLogP6.11
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.78
LogP ≤ 56.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-naphthalen-2-yl-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-amine
CID 5062671
N-(4-chlorophenyl)-4-(4-iodophenyl)-1,3-thiazol-2-amine
CID 2193688
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-(trifluoromethoxy)benzamide
CID 4660471
N-(4-bromophenyl)-4-(4-chlorophenyl)-1,3-thiazol-2-amine
CID 3551547
N-[3,5-bis(trifluoromethyl)phenyl]-4-(4-chlorophenyl)-1,3-thiazol-2-amine
CID 118708822
[4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]phenyl]methanol
CID 118713961
4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]benzamide
CID 46880290
N-pyridin-2-yl-4-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-amine
CID 122499786
4-(4-chlorophenyl)-N-(6-chloro-3-pyridinyl)-1,3-thiazol-2-amine
CID 166340316
4-(4-fluorophenyl)-N-(4-methoxyphenyl)-1,3-thiazol-2-amine
CID 4093037
1-[4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]phenyl]ethanone
CID 84564240
N,4-bis(4-fluorophenyl)-1,3-thiazol-2-amine;hydrobromide
CID 2840600

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-(4-chlorophenyl)-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-amine (CID 4149421) is 4-(4-chlorophenyl)-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(4-chlorophenyl)-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-(4-chlorophenyl)-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-amine is FC(F)(F)Oc1ccc(Nc2nc(-c3ccc(Cl)cc3)cs2)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-amine?
The InChIKey is ATKFEZCZQVWLFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClF3N2OS/c17-11-3-1-10(2-4-11)14-9-24-15(22-14)21-12-5-7-13(8-6-12)23-16(18,19)20/h1-9H,(H,21,22).
What are the key properties of 4-(4-chlorophenyl)-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-amine?
4-(4-chlorophenyl)-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-amine has a molecular weight of 370.78 g/mol, XLogP of 6.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 4149421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).