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

C24H22F6N2OS — CID 58791312

IUPACN-[4-(cyclohexylmethoxy)-3-(trifluoromethyl)phenyl]-4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
SMILESFC(F)(F)c1cccc(-c2csc(Nc3ccc(OCC4CCCCC4)c(C(F)(F)F)c3)n2)c1
InChIInChI=1S/C24H22F6N2OS/c25-23(26,27)17-8-4-7-16(11-17)20-14-34-22(32-20)31-18-9-10-21(19(12-18)24(28,29)30)33-13-15-5-2-1-3-6-15/h4,7-12,14-15H,1-3,5-6,13H2,(H,31,32)
InChIKeyIYPUXOVQRFAKCB-UHFFFAOYSA-N
MW500.51 g/mol
LogP8.55
Rot. Bonds6

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

N-[4-(cyclohexylmethoxy)-3-(trifluoromethyl)phenyl]-4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine (PubChem CID 58791312) has the molecular formula C24H22F6N2OS and a molecular weight of 500.51 g/mol. Its IUPAC name is N-[4-(cyclohexylmethoxy)-3-(trifluoromethyl)phenyl]-4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[4-(cyclohexylmethoxy)-3-(trifluoromethyl)phenyl]-4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
PubChem CID58791312
Molecular FormulaC24H22F6N2OS
Molecular Weight500.51 g/mol
Exact Mass500.14
IUPAC NameN-[4-(cyclohexylmethoxy)-3-(trifluoromethyl)phenyl]-4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
SMILESFC(F)(F)c1cccc(-c2csc(Nc3ccc(OCC4CCCCC4)c(C(F)(F)F)c3)n2)c1
InChIInChI=1S/C24H22F6N2OS/c25-23(26,27)17-8-4-7-16(11-17)20-14-34-22(32-20)31-18-9-10-21(19(12-18)24(28,29)30)33-13-15-5-2-1-3-6-15/h4,7-12,14-15H,1-3,5-6,13H2,(H,31,32)
InChIKeyIYPUXOVQRFAKCB-UHFFFAOYSA-N
XLogP8.55
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.51
LogP ≤ 58.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(cyclopropylmethoxy)-3-(trifluoromethyl)phenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine
CID 58791691
N-[4-(cyclohexylmethoxy)-3-[difluoro(phosphanyl)methyl]phenyl]-4-(6-methoxynaphthalen-2-yl)-1,3-thiazol-2-amine
CID 143328910
5-[2-[4-(cyclohexylmethoxy)-3-fluoroanilino]-1,3-thiazol-4-yl]-3H-2-benzofuran-1-one
CID 58791959
5-[2-[4-(cyclohexylmethoxy)-3-methylanilino]-1,3-thiazol-4-yl]pyridine-2-carbonitrile
CID 143328731
N-[3-(cyclohexylamino)propyl]-5-(trifluoromethyl)-2-[[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]amino]pyrimidine-4-carboxamide
CID 22914772
N-[4-pentoxy-3-(trifluoromethyl)phenyl]-4-(5-phenylthiophen-2-yl)-1,3-thiazol-2-amine
CID 87078100
4-naphthalen-2-yl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
CID 2249396
2-(cyclopropylmethylamino)-N-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide
CID 119708085
4-[3-(dimethylamino)phenyl]-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
CID 156517729
ethane;3-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]benzoic acid
CID 156795689
4-(4-fluorophenyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine;hydrobromide
CID 44789502
N-[4-pentoxy-3-(trifluoromethyl)phenyl]-4-pyrimidin-5-yl-1,3-thiazol-2-amine
CID 58791233

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyclohexylmethoxy)-3-(trifluoromethyl)phenyl]-4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
The IUPAC name of N-[4-(cyclohexylmethoxy)-3-(trifluoromethyl)phenyl]-4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine (CID 58791312) is N-[4-(cyclohexylmethoxy)-3-(trifluoromethyl)phenyl]-4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-[4-(cyclohexylmethoxy)-3-(trifluoromethyl)phenyl]-4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-[4-(cyclohexylmethoxy)-3-(trifluoromethyl)phenyl]-4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine is FC(F)(F)c1cccc(-c2csc(Nc3ccc(OCC4CCCCC4)c(C(F)(F)F)c3)n2)c1.
What is the InChIKey of N-[4-(cyclohexylmethoxy)-3-(trifluoromethyl)phenyl]-4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
The InChIKey is IYPUXOVQRFAKCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F6N2OS/c25-23(26,27)17-8-4-7-16(11-17)20-14-34-22(32-20)31-18-9-10-21(19(12-18)24(28,29)30)33-13-15-5-2-1-3-6-15/h4,7-12,14-15H,1-3,5-6,13H2,(H,31,32).
What are the key properties of N-[4-(cyclohexylmethoxy)-3-(trifluoromethyl)phenyl]-4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
N-[4-(cyclohexylmethoxy)-3-(trifluoromethyl)phenyl]-4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine has a molecular weight of 500.51 g/mol, XLogP of 8.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyclohexylmethoxy)-3-(trifluoromethyl)phenyl]-4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 58791312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).