N-[3-[2-[[(1,1-dioxothiolan-3-yl)amino]methyl]-1,3-thiazol-5-yl]-5-methylphenyl]-4-(trifluoromethyl)pyrimidin-2-amine

C20H20F3N5O2S2 — CID 67260670

IUPACN-[3-[2-[[(1,1-dioxothiolan-3-yl)amino]methyl]-1,3-thiazol-5-yl]-5-methylphenyl]-4-(trifluoromethyl)pyrimidin-2-amine
SMILESCc1cc(Nc2nccc(C(F)(F)F)n2)cc(-c2cnc(CNC3CCS(=O)(=O)C3)s2)c1
InChIInChI=1S/C20H20F3N5O2S2/c1-12-6-13(8-15(7-12)27-19-24-4-2-17(28-19)20(21,22)23)16-9-26-18(31-16)10-25-14-3-5-32(29,30)11-14/h2,4,6-9,14,25H,3,5,10-11H2,1H3,(H,24,27,28)
InChIKeyYGZGBWKMQWWHLS-UHFFFAOYSA-N
MW483.54 g/mol
LogP3.95
Rot. Bonds6

About N-[3-[2-[[(1,1-dioxothiolan-3-yl)amino]methyl]-1,3-thiazol-5-yl]-5-methylphenyl]-4-(trifluoromethyl)pyrimidin-2-amine

N-[3-[2-[[(1,1-dioxothiolan-3-yl)amino]methyl]-1,3-thiazol-5-yl]-5-methylphenyl]-4-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 67260670) has the molecular formula C20H20F3N5O2S2 and a molecular weight of 483.54 g/mol. Its IUPAC name is N-[3-[2-[[(1,1-dioxothiolan-3-yl)amino]methyl]-1,3-thiazol-5-yl]-5-methylphenyl]-4-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-[3-[2-[[(1,1-dioxothiolan-3-yl)amino]methyl]-1,3-thiazol-5-yl]-5-methylphenyl]-4-(trifluoromethyl)pyrimidin-2-amine
PubChem CID67260670
Molecular FormulaC20H20F3N5O2S2
Molecular Weight483.54 g/mol
Exact Mass483.10
IUPAC NameN-[3-[2-[[(1,1-dioxothiolan-3-yl)amino]methyl]-1,3-thiazol-5-yl]-5-methylphenyl]-4-(trifluoromethyl)pyrimidin-2-amine
SMILESCc1cc(Nc2nccc(C(F)(F)F)n2)cc(-c2cnc(CNC3CCS(=O)(=O)C3)s2)c1
InChIInChI=1S/C20H20F3N5O2S2/c1-12-6-13(8-15(7-12)27-19-24-4-2-17(28-19)20(21,22)23)16-9-26-18(31-16)10-25-14-3-5-32(29,30)11-14/h2,4,6-9,14,25H,3,5,10-11H2,1H3,(H,24,27,28)
InChIKeyYGZGBWKMQWWHLS-UHFFFAOYSA-N
XLogP3.95
TPSA96.87 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.54
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

4-[[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]methylamino]oxolan-3-ol
CID 67429894
N-[3-[2-(aminomethyl)-1,3-thiazol-5-yl]-5-methylphenyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 67433789
2-[[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]methylamino]butan-1-ol
CID 67432225
(2S,3S)-2-[[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]methylamino]butane-1,3-diol
CID 67432848
2-[[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]methylamino]propane-1-sulfonamide
CID 123207682
1,1-difluoro-3-[[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]methylamino]propan-2-ol
CID 67257310
5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazole-2-carboxylic acid
CID 58456297
4-[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]-1,1-dioxothian-4-ol
CID 67258706
2-[methyl-[[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]methyl]amino]ethanol
CID 70926396
N-[3-[2-(4,4-dimethylcyclohexyl)-1,3-thiazol-5-yl]-5-methylphenyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 141308960
2-[2-hydroxyethyl-[[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]methyl]amino]ethanol
CID 67432944
N-[3-methyl-5-[2-[2-methyl-2-(1,3,4-oxadiazol-2-yl)propyl]-1,3-thiazol-5-yl]phenyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 58456287

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[[(1,1-dioxothiolan-3-yl)amino]methyl]-1,3-thiazol-5-yl]-5-methylphenyl]-4-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of N-[3-[2-[[(1,1-dioxothiolan-3-yl)amino]methyl]-1,3-thiazol-5-yl]-5-methylphenyl]-4-(trifluoromethyl)pyrimidin-2-amine (CID 67260670) is N-[3-[2-[[(1,1-dioxothiolan-3-yl)amino]methyl]-1,3-thiazol-5-yl]-5-methylphenyl]-4-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for N-[3-[2-[[(1,1-dioxothiolan-3-yl)amino]methyl]-1,3-thiazol-5-yl]-5-methylphenyl]-4-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for N-[3-[2-[[(1,1-dioxothiolan-3-yl)amino]methyl]-1,3-thiazol-5-yl]-5-methylphenyl]-4-(trifluoromethyl)pyrimidin-2-amine is Cc1cc(Nc2nccc(C(F)(F)F)n2)cc(-c2cnc(CNC3CCS(=O)(=O)C3)s2)c1.
What is the InChIKey of N-[3-[2-[[(1,1-dioxothiolan-3-yl)amino]methyl]-1,3-thiazol-5-yl]-5-methylphenyl]-4-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is YGZGBWKMQWWHLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N5O2S2/c1-12-6-13(8-15(7-12)27-19-24-4-2-17(28-19)20(21,22)23)16-9-26-18(31-16)10-25-14-3-5-32(29,30)11-14/h2,4,6-9,14,25H,3,5,10-11H2,1H3,(H,24,27,28).
What are the key properties of N-[3-[2-[[(1,1-dioxothiolan-3-yl)amino]methyl]-1,3-thiazol-5-yl]-5-methylphenyl]-4-(trifluoromethyl)pyrimidin-2-amine?
N-[3-[2-[[(1,1-dioxothiolan-3-yl)amino]methyl]-1,3-thiazol-5-yl]-5-methylphenyl]-4-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 483.54 g/mol, XLogP of 3.95, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[[(1,1-dioxothiolan-3-yl)amino]methyl]-1,3-thiazol-5-yl]-5-methylphenyl]-4-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 67260670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).