2-[4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol

C18H11ClF6N2OS — CID 118708823

IUPAC2-[4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESOC(c1ccc(Nc2nc(-c3ccc(Cl)cc3)cs2)cc1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C18H11ClF6N2OS/c19-12-5-1-10(2-6-12)14-9-29-15(27-14)26-13-7-3-11(4-8-13)16(28,17(20,21)22)18(23,24)25/h1-9,28H,(H,26,27)
InChIKeyNZWWFHOYZNOKOE-UHFFFAOYSA-N
MW452.81 g/mol
LogP6.52
Rot. Bonds4

About 2-[4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol

2-[4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol (PubChem CID 118708823) has the molecular formula C18H11ClF6N2OS and a molecular weight of 452.81 g/mol. Its IUPAC name is 2-[4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol.

Molecular Properties

Compound Name2-[4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
PubChem CID118708823
Molecular FormulaC18H11ClF6N2OS
Molecular Weight452.81 g/mol
Exact Mass452.02
IUPAC Name2-[4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESOC(c1ccc(Nc2nc(-c3ccc(Cl)cc3)cs2)cc1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C18H11ClF6N2OS/c19-12-5-1-10(2-6-12)14-9-29-15(27-14)26-13-7-3-11(4-8-13)16(28,17(20,21)22)18(23,24)25/h1-9,28H,(H,26,27)
InChIKeyNZWWFHOYZNOKOE-UHFFFAOYSA-N
XLogP6.52
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.81
LogP ≤ 56.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol with MolForge

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Related Compounds

4-((4-(4-Chlorophenyl)-2-thiazolyl)amino)phenol
CID 753704
N-aryl-4-aryl-1,3-thiazole-2-amine, 14
CID 25100732
N-aryl-4-aryl-1,3-thiazole-2-amine, 9
CID 25100738
4-{2-[(4-Chlorophenyl)amino]-1,3-thiazol-4-yl}phenol
CID 7341803
[4-(4-Chlorophenyl)thiazol-2-yl]-(4-trifluoromethylphenyl)amine
CID 22496401
3-{[4-(4-Chlorophenyl)-1,3-thiazol-2-yl]amino}phenol
CID 877802
2-[4-[(4-Methyl-1,3-thiazol-2-yl)amino]phenyl]propan-2-ol
CID 137637472
[3-[2-(2-Fluoroanilino)-1,3-thiazol-4-yl]phenyl]methanol
CID 146949885
2-[4-(1,3-Benzothiazol-2-ylamino)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 2316156
4-{[4-(4-Chlorophenyl)-1,3-thiazol-2-yl]amino}benzoic acid
CID 873098
[4-[[4-(4-Chlorophenyl)-1,3-thiazol-2-yl]amino]phenyl]methanol
CID 118713961
Sphingosine Kinase Inhibitor
CID 16760659

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The IUPAC name of 2-[4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol (CID 118708823) is 2-[4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol.
What is the SMILES notation for 2-[4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The canonical SMILES for 2-[4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol is OC(c1ccc(Nc2nc(-c3ccc(Cl)cc3)cs2)cc1)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-[4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The InChIKey is NZWWFHOYZNOKOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClF6N2OS/c19-12-5-1-10(2-6-12)14-9-29-15(27-14)26-13-7-3-11(4-8-13)16(28,17(20,21)22)18(23,24)25/h1-9,28H,(H,26,27).
What are the key properties of 2-[4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
2-[4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol has a molecular weight of 452.81 g/mol, XLogP of 6.52, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol is sourced from PubChem (CID 118708823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).