N-[3-methoxy-4-(5-methyl-1H-imidazol-2-yl)phenyl]-4-methyl-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-amine

C23H21F3N4OS — CID 87549387

IUPACN-[3-methoxy-4-(5-methyl-1H-imidazol-2-yl)phenyl]-4-methyl-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-amine
SMILESCOc1cc(Nc2nc(C)c(Cc3cccc(C(F)(F)F)c3)s2)ccc1-c1ncc(C)[nH]1
InChIInChI=1S/C23H21F3N4OS/c1-13-12-27-21(28-13)18-8-7-17(11-19(18)31-3)30-22-29-14(2)20(32-22)10-15-5-4-6-16(9-15)23(24,25)26/h4-9,11-12H,10H2,1-3H3,(H,27,28)(H,29,30)
InChIKeyMLCJGLPHVJVNLH-UHFFFAOYSA-N
MW458.51 g/mol
LogP6.51
Rot. Bonds6

About N-[3-methoxy-4-(5-methyl-1H-imidazol-2-yl)phenyl]-4-methyl-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-amine

N-[3-methoxy-4-(5-methyl-1H-imidazol-2-yl)phenyl]-4-methyl-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-amine (PubChem CID 87549387) has the molecular formula C23H21F3N4OS and a molecular weight of 458.51 g/mol. Its IUPAC name is N-[3-methoxy-4-(5-methyl-1H-imidazol-2-yl)phenyl]-4-methyl-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[3-methoxy-4-(5-methyl-1H-imidazol-2-yl)phenyl]-4-methyl-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-amine
PubChem CID87549387
Molecular FormulaC23H21F3N4OS
Molecular Weight458.51 g/mol
Exact Mass458.14
IUPAC NameN-[3-methoxy-4-(5-methyl-1H-imidazol-2-yl)phenyl]-4-methyl-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-amine
SMILESCOc1cc(Nc2nc(C)c(Cc3cccc(C(F)(F)F)c3)s2)ccc1-c1ncc(C)[nH]1
InChIInChI=1S/C23H21F3N4OS/c1-13-12-27-21(28-13)18-8-7-17(11-19(18)31-3)30-22-29-14(2)20(32-22)10-15-5-4-6-16(9-15)23(24,25)26/h4-9,11-12H,10H2,1-3H3,(H,27,28)(H,29,30)
InChIKeyMLCJGLPHVJVNLH-UHFFFAOYSA-N
XLogP6.51
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.51
LogP ≤ 56.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-N-[3-methoxy-4-(5-methyl-1H-imidazol-2-yl)phenyl]-2-N-[4-(trifluoromethyl)phenyl]pyridine-2,6-diamine
CID 68629643
N-(4-chlorophenyl)-4-methyl-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-amine
CID 86630514
6-benzyl-2-chloro-N-[3-methoxy-4-(5-methyl-1H-imidazol-2-yl)phenyl]pyrimidin-4-amine
CID 87523530
N-[4-methyl-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide
CID 43836442
N-[3-methoxy-4-(5-methyl-1H-imidazol-2-yl)phenyl]-4,6-di(propan-2-yl)pyrimidin-2-amine
CID 68630492
2-[4-(4-chlorophenyl)-2-[3-methoxy-4-(5-methyl-1H-imidazol-2-yl)anilino]-6,7-dihydro-5H-1,3-benzothiazol-4-yl]acetonitrile
CID 87554193
3,3,3-trifluoro-N-[(3S)-4-[2-[3-methoxy-4-(5-methyl-1H-imidazol-2-yl)anilino]-1,3-thiazol-4-yl]-3-methylbutyl]propanamide
CID 87549428
2-cyclopropyl-2-[2-[3-methoxy-4-(5-methyl-1H-imidazol-2-yl)anilino]-4-[4-(trifluoromethyl)phenyl]pyrimidin-5-yl]acetonitrile
CID 68630280
N-methyl-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-amine
CID 93202751
6,7-dimethoxy-2-[[3-(trifluoromethyl)phenyl]methyl]-3H-quinazolin-4-one
CID 135909907
N-methyl-3-(5-methyl-1H-imidazol-2-yl)-4-[3-(trifluoromethyl)phenoxy]benzenesulfonamide
CID 155342852
4-tert-butyl-5-[(3,4-dimethoxyphenyl)methyl]-N-(4-methylphenyl)-1,3-thiazol-2-amine
CID 141252487

Frequently Asked Questions

What is the IUPAC name of N-[3-methoxy-4-(5-methyl-1H-imidazol-2-yl)phenyl]-4-methyl-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-amine?
The IUPAC name of N-[3-methoxy-4-(5-methyl-1H-imidazol-2-yl)phenyl]-4-methyl-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-amine (CID 87549387) is N-[3-methoxy-4-(5-methyl-1H-imidazol-2-yl)phenyl]-4-methyl-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-[3-methoxy-4-(5-methyl-1H-imidazol-2-yl)phenyl]-4-methyl-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-[3-methoxy-4-(5-methyl-1H-imidazol-2-yl)phenyl]-4-methyl-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-amine is COc1cc(Nc2nc(C)c(Cc3cccc(C(F)(F)F)c3)s2)ccc1-c1ncc(C)[nH]1.
What is the InChIKey of N-[3-methoxy-4-(5-methyl-1H-imidazol-2-yl)phenyl]-4-methyl-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-amine?
The InChIKey is MLCJGLPHVJVNLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N4OS/c1-13-12-27-21(28-13)18-8-7-17(11-19(18)31-3)30-22-29-14(2)20(32-22)10-15-5-4-6-16(9-15)23(24,25)26/h4-9,11-12H,10H2,1-3H3,(H,27,28)(H,29,30).
What are the key properties of N-[3-methoxy-4-(5-methyl-1H-imidazol-2-yl)phenyl]-4-methyl-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-amine?
N-[3-methoxy-4-(5-methyl-1H-imidazol-2-yl)phenyl]-4-methyl-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-amine has a molecular weight of 458.51 g/mol, XLogP of 6.51, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methoxy-4-(5-methyl-1H-imidazol-2-yl)phenyl]-4-methyl-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 87549387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).