5-[(dimethylamino)methyl]-N-[4-fluoro-3-(trifluoromethyl)phenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine;N-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methyl-4-pyridin-3-yl-1,3-thiazol-2-amine

C34H27F8N7S2 — CID 159050978

IUPAC5-[(dimethylamino)methyl]-N-[4-fluoro-3-(trifluoromethyl)phenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine;N-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methyl-4-pyridin-3-yl-1,3-thiazol-2-amine
SMILESCN(C)Cc1sc(Nc2ccc(F)c(C(F)(F)F)c2)nc1-c1cccnc1.Cc1sc(Nc2ccc(F)c(C(F)(F)F)c2)nc1-c1cccnc1
InChIInChI=1S/C18H16F4N4S.C16H11F4N3S/c1-26(2)10-15-16(11-4-3-7-23-9-11)25-17(27-15)24-12-5-6-14(19)13(8-12)18(20,21)22;1-9-14(10-3-2-6-21-8-10)23-15(24-9)22-11-4-5-13(17)12(7-11)16(18,19)20/h3-9H,10H2,1-2H3,(H,24,25);2-8H,1H3,(H,22,23)
InChIKeyJXGLVEQODZGEGT-UHFFFAOYSA-N
MW749.76 g/mol
LogP10.58
Rot. Bonds8

About 5-[(dimethylamino)methyl]-N-[4-fluoro-3-(trifluoromethyl)phenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine;N-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methyl-4-pyridin-3-yl-1,3-thiazol-2-amine

5-[(dimethylamino)methyl]-N-[4-fluoro-3-(trifluoromethyl)phenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine;N-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methyl-4-pyridin-3-yl-1,3-thiazol-2-amine (PubChem CID 159050978) has the molecular formula C34H27F8N7S2 and a molecular weight of 749.76 g/mol. Its IUPAC name is 5-[(dimethylamino)methyl]-N-[4-fluoro-3-(trifluoromethyl)phenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine;N-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methyl-4-pyridin-3-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(dimethylamino)methyl]-N-[4-fluoro-3-(trifluoromethyl)phenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine;N-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methyl-4-pyridin-3-yl-1,3-thiazol-2-amine
PubChem CID159050978
Molecular FormulaC34H27F8N7S2
Molecular Weight749.76 g/mol
Exact Mass749.16
IUPAC Name5-[(dimethylamino)methyl]-N-[4-fluoro-3-(trifluoromethyl)phenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine;N-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methyl-4-pyridin-3-yl-1,3-thiazol-2-amine
SMILESCN(C)Cc1sc(Nc2ccc(F)c(C(F)(F)F)c2)nc1-c1cccnc1.Cc1sc(Nc2ccc(F)c(C(F)(F)F)c2)nc1-c1cccnc1
InChIInChI=1S/C18H16F4N4S.C16H11F4N3S/c1-26(2)10-15-16(11-4-3-7-23-9-11)25-17(27-15)24-12-5-6-14(19)13(8-12)18(20,21)22;1-9-14(10-3-2-6-21-8-10)23-15(24-9)22-11-4-5-13(17)12(7-11)16(18,19)20/h3-9H,10H2,1-2H3,(H,24,25);2-8H,1H3,(H,22,23)
InChIKeyJXGLVEQODZGEGT-UHFFFAOYSA-N
XLogP10.58
TPSA78.86 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500749.76
LogP ≤ 510.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 5-[(dimethylamino)methyl]-N-[4-fluoro-3-(trifluoromethyl)phenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine;N-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methyl-4-pyridin-3-yl-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

Frequently Asked Questions

What is the IUPAC name of 5-[(dimethylamino)methyl]-N-[4-fluoro-3-(trifluoromethyl)phenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine;N-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methyl-4-pyridin-3-yl-1,3-thiazol-2-amine?
The IUPAC name of 5-[(dimethylamino)methyl]-N-[4-fluoro-3-(trifluoromethyl)phenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine;N-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methyl-4-pyridin-3-yl-1,3-thiazol-2-amine (CID 159050978) is 5-[(dimethylamino)methyl]-N-[4-fluoro-3-(trifluoromethyl)phenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine;N-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methyl-4-pyridin-3-yl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(dimethylamino)methyl]-N-[4-fluoro-3-(trifluoromethyl)phenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine;N-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methyl-4-pyridin-3-yl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(dimethylamino)methyl]-N-[4-fluoro-3-(trifluoromethyl)phenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine;N-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methyl-4-pyridin-3-yl-1,3-thiazol-2-amine is CN(C)Cc1sc(Nc2ccc(F)c(C(F)(F)F)c2)nc1-c1cccnc1.Cc1sc(Nc2ccc(F)c(C(F)(F)F)c2)nc1-c1cccnc1.
What is the InChIKey of 5-[(dimethylamino)methyl]-N-[4-fluoro-3-(trifluoromethyl)phenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine;N-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methyl-4-pyridin-3-yl-1,3-thiazol-2-amine?
The InChIKey is JXGLVEQODZGEGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F4N4S.C16H11F4N3S/c1-26(2)10-15-16(11-4-3-7-23-9-11)25-17(27-15)24-12-5-6-14(19)13(8-12)18(20,21)22;1-9-14(10-3-2-6-21-8-10)23-15(24-9)22-11-4-5-13(17)12(7-11)16(18,19)20/h3-9H,10H2,1-2H3,(H,24,25);2-8H,1H3,(H,22,23).
What are the key properties of 5-[(dimethylamino)methyl]-N-[4-fluoro-3-(trifluoromethyl)phenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine;N-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methyl-4-pyridin-3-yl-1,3-thiazol-2-amine?
5-[(dimethylamino)methyl]-N-[4-fluoro-3-(trifluoromethyl)phenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine;N-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methyl-4-pyridin-3-yl-1,3-thiazol-2-amine has a molecular weight of 749.76 g/mol, XLogP of 10.58, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(dimethylamino)methyl]-N-[4-fluoro-3-(trifluoromethyl)phenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine;N-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methyl-4-pyridin-3-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 159050978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).