N-[2-(6-tert-butylcyclohexa-2,4-dien-1-yl)oxy-3-pyridinyl]-5-[4-(dimethylamino)phenyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine

C27H29F3N4OS — CID 162553553

IUPACN-[2-(6-tert-butylcyclohexa-2,4-dien-1-yl)oxy-3-pyridinyl]-5-[4-(dimethylamino)phenyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine
SMILESCN(C)c1ccc(-c2sc(Nc3cccnc3OC3C=CC=CC3C(C)(C)C)nc2C(F)(F)F)cc1
InChIInChI=1S/C27H29F3N4OS/c1-26(2,3)19-9-6-7-11-21(19)35-24-20(10-8-16-31-24)32-25-33-23(27(28,29)30)22(36-25)17-12-14-18(15-13-17)34(4)5/h6-16,19,21H,1-5H3,(H,32,33)
InChIKeyLCMFPFGOHWZRQK-UHFFFAOYSA-N
MW514.62 g/mol
LogP7.57
Rot. Bonds6

About N-[2-(6-tert-butylcyclohexa-2,4-dien-1-yl)oxy-3-pyridinyl]-5-[4-(dimethylamino)phenyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine

N-[2-(6-tert-butylcyclohexa-2,4-dien-1-yl)oxy-3-pyridinyl]-5-[4-(dimethylamino)phenyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine (PubChem CID 162553553) has the molecular formula C27H29F3N4OS and a molecular weight of 514.62 g/mol. Its IUPAC name is N-[2-(6-tert-butylcyclohexa-2,4-dien-1-yl)oxy-3-pyridinyl]-5-[4-(dimethylamino)phenyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[2-(6-tert-butylcyclohexa-2,4-dien-1-yl)oxy-3-pyridinyl]-5-[4-(dimethylamino)phenyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine
PubChem CID162553553
Molecular FormulaC27H29F3N4OS
Molecular Weight514.62 g/mol
Exact Mass514.20
IUPAC NameN-[2-(6-tert-butylcyclohexa-2,4-dien-1-yl)oxy-3-pyridinyl]-5-[4-(dimethylamino)phenyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine
SMILESCN(C)c1ccc(-c2sc(Nc3cccnc3OC3C=CC=CC3C(C)(C)C)nc2C(F)(F)F)cc1
InChIInChI=1S/C27H29F3N4OS/c1-26(2,3)19-9-6-7-11-21(19)35-24-20(10-8-16-31-24)32-25-33-23(27(28,29)30)22(36-25)17-12-14-18(15-13-17)34(4)5/h6-16,19,21H,1-5H3,(H,32,33)
InChIKeyLCMFPFGOHWZRQK-UHFFFAOYSA-N
XLogP7.57
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.62
LogP ≤ 57.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-(6-tert-butylcyclohexa-2,4-dien-1-yl)oxy-3-pyridinyl]-5-[4-(dimethylamino)phenyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(2-tert-butylphenoxy)pyridin-3-yl]-5-[3-[3-(dimethylamino)-2,2-dimethylpropoxy]phenyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine
CID 53350234
2-(2-(2-Tert-butylphenoxy)pyridin-3-ylamino)-4-(trifluoromethyl)thiazole-5-carbonitrile
CID 59128841
N-[2-(2-tert-butylphenoxy)pyridin-3-yl]-5-methyl-4-(trifluoromethyl)-1,3-thiazol-2-amine
CID 59128890
N-(2-(2-(tert-butyl)phenoxy)pyridin-3-yl)-4-ethyl-5-phenylthiazol-2-amine
CID 59128900
2-[2-[[2-(2-Tert-butylphenoxy)pyridin-3-yl]amino]-4-(trifluoromethyl)-1,3-thiazol-5-yl]phenol
CID 59128945
4-(Tert-butyl)-N-(2-(2-(tert-butyl)phenoxy)pyridin-3-yl)-5-phenylthiazol-2-amine
CID 59128997
N-[2-(2-tert-butylphenoxy)pyridin-3-yl]-5-(2-fluorophenyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine
CID 59129057
N-(2-(2-(tert-butyl)phenoxy)pyridin-3-yl)-5-phenylthiazol-2-amine
CID 59275020
N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-5-phenyl-4-(trifluoromethyl)-1,3-thiazol-2-amine
CID 73345961
Ethyl 2-[[2-(2-tert-butylphenoxy)pyridin-3-yl]amino]-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate
CID 73352098
N-(2-ethoxyphenyl)-4-(3-pyridinyl)-1,3-thiazol-2-amine
CID 746691
N-(3-methylphenyl)-4-[3-(2-morpholin-4-ylethoxy)-4-pyridinyl]-1,3-thiazol-2-amine
CID 56662650

Frequently Asked Questions

What is the IUPAC name of N-[2-(6-tert-butylcyclohexa-2,4-dien-1-yl)oxy-3-pyridinyl]-5-[4-(dimethylamino)phenyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine?
The IUPAC name of N-[2-(6-tert-butylcyclohexa-2,4-dien-1-yl)oxy-3-pyridinyl]-5-[4-(dimethylamino)phenyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine (CID 162553553) is N-[2-(6-tert-butylcyclohexa-2,4-dien-1-yl)oxy-3-pyridinyl]-5-[4-(dimethylamino)phenyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-[2-(6-tert-butylcyclohexa-2,4-dien-1-yl)oxy-3-pyridinyl]-5-[4-(dimethylamino)phenyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-[2-(6-tert-butylcyclohexa-2,4-dien-1-yl)oxy-3-pyridinyl]-5-[4-(dimethylamino)phenyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine is CN(C)c1ccc(-c2sc(Nc3cccnc3OC3C=CC=CC3C(C)(C)C)nc2C(F)(F)F)cc1.
What is the InChIKey of N-[2-(6-tert-butylcyclohexa-2,4-dien-1-yl)oxy-3-pyridinyl]-5-[4-(dimethylamino)phenyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine?
The InChIKey is LCMFPFGOHWZRQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29F3N4OS/c1-26(2,3)19-9-6-7-11-21(19)35-24-20(10-8-16-31-24)32-25-33-23(27(28,29)30)22(36-25)17-12-14-18(15-13-17)34(4)5/h6-16,19,21H,1-5H3,(H,32,33).
What are the key properties of N-[2-(6-tert-butylcyclohexa-2,4-dien-1-yl)oxy-3-pyridinyl]-5-[4-(dimethylamino)phenyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine?
N-[2-(6-tert-butylcyclohexa-2,4-dien-1-yl)oxy-3-pyridinyl]-5-[4-(dimethylamino)phenyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine has a molecular weight of 514.62 g/mol, XLogP of 7.57, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-tert-butylcyclohexa-2,4-dien-1-yl)oxy-3-pyridinyl]-5-[4-(dimethylamino)phenyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 162553553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).