5-[2-[(1-methylsulfonylpiperidin-4-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]-N-propan-2-yl-1,3-thiazol-2-amine

C17H23F3N6O2S2 — CID 169183655

IUPAC5-[2-[(1-methylsulfonylpiperidin-4-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]-N-propan-2-yl-1,3-thiazol-2-amine
SMILESCC(C)Nc1ncc(-c2nc(NC3CCN(S(C)(=O)=O)CC3)ncc2C(F)(F)F)s1
InChIInChI=1S/C17H23F3N6O2S2/c1-10(2)23-16-22-9-13(29-16)14-12(17(18,19)20)8-21-15(25-14)24-11-4-6-26(7-5-11)30(3,27)28/h8-11H,4-7H2,1-3H3,(H,22,23)(H,21,24,25)
InChIKeyLZHIZPKMKVMLLS-UHFFFAOYSA-N
MW464.54 g/mol
LogP3.28
Rot. Bonds6

About 5-[2-[(1-methylsulfonylpiperidin-4-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]-N-propan-2-yl-1,3-thiazol-2-amine

5-[2-[(1-methylsulfonylpiperidin-4-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]-N-propan-2-yl-1,3-thiazol-2-amine (PubChem CID 169183655) has the molecular formula C17H23F3N6O2S2 and a molecular weight of 464.54 g/mol. Its IUPAC name is 5-[2-[(1-methylsulfonylpiperidin-4-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]-N-propan-2-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[2-[(1-methylsulfonylpiperidin-4-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]-N-propan-2-yl-1,3-thiazol-2-amine
PubChem CID169183655
Molecular FormulaC17H23F3N6O2S2
Molecular Weight464.54 g/mol
Exact Mass464.13
IUPAC Name5-[2-[(1-methylsulfonylpiperidin-4-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]-N-propan-2-yl-1,3-thiazol-2-amine
SMILESCC(C)Nc1ncc(-c2nc(NC3CCN(S(C)(=O)=O)CC3)ncc2C(F)(F)F)s1
InChIInChI=1S/C17H23F3N6O2S2/c1-10(2)23-16-22-9-13(29-16)14-12(17(18,19)20)8-21-15(25-14)24-11-4-6-26(7-5-11)30(3,27)28/h8-11H,4-7H2,1-3H3,(H,22,23)(H,21,24,25)
InChIKeyLZHIZPKMKVMLLS-UHFFFAOYSA-N
XLogP3.28
TPSA100.11 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.54
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-ethyl-5-[2-[(1-methylsulfonylpiperidin-4-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]-1,3-thiazol-2-amine
CID 169183740
2,2,2-trifluoro-N-[5-[2-[(1-methylsulfonylpiperidin-4-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]-1,3-thiazol-2-yl]acetamide
CID 169183781
4-(2-cyclopentyloxy-1,3-thiazol-5-yl)-N-(1-methylsulfonylpiperidin-4-yl)-5-(trifluoromethyl)pyrimidin-2-amine
CID 169183670
ethyl N-[5-[2-[(1-methylsulfonylpiperidin-4-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]-1,3-thiazol-2-yl]carbamate
CID 169183665
5-methyl-2-[2-[(1-methylsulfonylpiperidin-4-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]spiro[6H-thieno[3,2-c]pyridine-7,1'-cyclopropane]-4-one
CID 169025873
N-ethyl-4-[[4-(2-methyl-1,3-thiazol-5-yl)-5-(trifluoromethyl)pyrimidin-2-yl]amino]piperidine-1-sulfonamide
CID 169183627
3-methyl-4-[5-[2-[(1-methylsulfonylpiperidin-4-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]-1,3-thiazol-2-yl]benzaldehyde
CID 169183691
2,2,2-trifluoro-1-[3-isocyano-5-[2-[(1-methylsulfonylpiperidin-4-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]thiophen-2-yl]ethanol
CID 171468998
N-(1-methylsulfonylpiperidin-4-yl)-5-(trifluoromethyl)-4-trimethylstannylpyrimidin-2-amine
CID 171468969
5-fluoro-N-(1-methylsulfonylpiperidin-4-yl)-4-(2-propan-2-yl-1,3-thiazol-5-yl)pyrimidin-2-amine
CID 164588471
7-amino-8a-ethyl-2-[2-[(1-methylsulfonylpiperidin-4-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]-7,8-dihydro-6H-thieno[2,3-a]pyrrolizin-4-one
CID 168857276
N-(1-ethylpiperidin-4-yl)-4-(2-propan-2-yloxy-1,3-thiazol-5-yl)-5-(trifluoromethyl)pyrimidin-2-amine
CID 174171891

Frequently Asked Questions

What is the IUPAC name of 5-[2-[(1-methylsulfonylpiperidin-4-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]-N-propan-2-yl-1,3-thiazol-2-amine?
The IUPAC name of 5-[2-[(1-methylsulfonylpiperidin-4-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]-N-propan-2-yl-1,3-thiazol-2-amine (CID 169183655) is 5-[2-[(1-methylsulfonylpiperidin-4-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]-N-propan-2-yl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[2-[(1-methylsulfonylpiperidin-4-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]-N-propan-2-yl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[2-[(1-methylsulfonylpiperidin-4-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]-N-propan-2-yl-1,3-thiazol-2-amine is CC(C)Nc1ncc(-c2nc(NC3CCN(S(C)(=O)=O)CC3)ncc2C(F)(F)F)s1.
What is the InChIKey of 5-[2-[(1-methylsulfonylpiperidin-4-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]-N-propan-2-yl-1,3-thiazol-2-amine?
The InChIKey is LZHIZPKMKVMLLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3N6O2S2/c1-10(2)23-16-22-9-13(29-16)14-12(17(18,19)20)8-21-15(25-14)24-11-4-6-26(7-5-11)30(3,27)28/h8-11H,4-7H2,1-3H3,(H,22,23)(H,21,24,25).
What are the key properties of 5-[2-[(1-methylsulfonylpiperidin-4-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]-N-propan-2-yl-1,3-thiazol-2-amine?
5-[2-[(1-methylsulfonylpiperidin-4-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]-N-propan-2-yl-1,3-thiazol-2-amine has a molecular weight of 464.54 g/mol, XLogP of 3.28, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(1-methylsulfonylpiperidin-4-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]-N-propan-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 169183655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).