N-ethyl-4-[[4-(2-methyl-1,3-thiazol-5-yl)-5-(trifluoromethyl)pyrimidin-2-yl]amino]piperidine-1-sulfonamide

C16H21F3N6O2S2 — CID 169183627

IUPACN-ethyl-4-[[4-(2-methyl-1,3-thiazol-5-yl)-5-(trifluoromethyl)pyrimidin-2-yl]amino]piperidine-1-sulfonamide
SMILESCCNS(=O)(=O)N1CCC(Nc2ncc(C(F)(F)F)c(-c3cnc(C)s3)n2)CC1
InChIInChI=1S/C16H21F3N6O2S2/c1-3-22-29(26,27)25-6-4-11(5-7-25)23-15-21-8-12(16(17,18)19)14(24-15)13-9-20-10(2)28-13/h8-9,11,22H,3-7H2,1-2H3,(H,21,23,24)
InChIKeyKUIQJDLECODJFS-UHFFFAOYSA-N
MW450.51 g/mol
LogP2.66
Rot. Bonds6

About N-ethyl-4-[[4-(2-methyl-1,3-thiazol-5-yl)-5-(trifluoromethyl)pyrimidin-2-yl]amino]piperidine-1-sulfonamide

N-ethyl-4-[[4-(2-methyl-1,3-thiazol-5-yl)-5-(trifluoromethyl)pyrimidin-2-yl]amino]piperidine-1-sulfonamide (PubChem CID 169183627) has the molecular formula C16H21F3N6O2S2 and a molecular weight of 450.51 g/mol. Its IUPAC name is N-ethyl-4-[[4-(2-methyl-1,3-thiazol-5-yl)-5-(trifluoromethyl)pyrimidin-2-yl]amino]piperidine-1-sulfonamide.

Molecular Properties

Compound NameN-ethyl-4-[[4-(2-methyl-1,3-thiazol-5-yl)-5-(trifluoromethyl)pyrimidin-2-yl]amino]piperidine-1-sulfonamide
PubChem CID169183627
Molecular FormulaC16H21F3N6O2S2
Molecular Weight450.51 g/mol
Exact Mass450.11
IUPAC NameN-ethyl-4-[[4-(2-methyl-1,3-thiazol-5-yl)-5-(trifluoromethyl)pyrimidin-2-yl]amino]piperidine-1-sulfonamide
SMILESCCNS(=O)(=O)N1CCC(Nc2ncc(C(F)(F)F)c(-c3cnc(C)s3)n2)CC1
InChIInChI=1S/C16H21F3N6O2S2/c1-3-22-29(26,27)25-6-4-11(5-7-25)23-15-21-8-12(16(17,18)19)14(24-15)13-9-20-10(2)28-13/h8-9,11,22H,3-7H2,1-2H3,(H,21,23,24)
InChIKeyKUIQJDLECODJFS-UHFFFAOYSA-N
XLogP2.66
TPSA100.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.51
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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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
ethyl N-[5-[2-[(1-methylsulfonylpiperidin-4-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]-1,3-thiazol-2-yl]carbamate
CID 169183665
4-(2-cyclopentyloxy-1,3-thiazol-5-yl)-N-(1-methylsulfonylpiperidin-4-yl)-5-(trifluoromethyl)pyrimidin-2-amine
CID 169183670
5-[2-[(1-methylsulfonylpiperidin-4-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]-N-propan-2-yl-1,3-thiazol-2-amine
CID 169183655
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
N-(1-ethylpiperidin-4-yl)-4-(2-propan-2-yloxy-1,3-thiazol-5-yl)-5-(trifluoromethyl)pyrimidin-2-amine
CID 174171891
3-methyl-4-[5-[2-[(1-methylsulfonylpiperidin-4-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]-1,3-thiazol-2-yl]benzaldehyde
CID 169183691
N-[1-[methylidene-oxo-(1-prop-1-en-2-ylpiperidin-4-yl)-λ6-sulfanyl]piperidin-4-yl]-4-(2-propan-2-yl-1,3-thiazol-5-yl)-5-(trifluoromethyl)pyrimidin-2-amine
CID 169183768
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
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-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]-4-(5-methyl-1,3-thiazol-2-yl)-5-(trifluoromethyl)pyrimidin-2-amine
CID 171469069
4-[[4-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidin-2-yl]amino]piperidine-1-sulfonyl chloride
CID 177052267

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[[4-(2-methyl-1,3-thiazol-5-yl)-5-(trifluoromethyl)pyrimidin-2-yl]amino]piperidine-1-sulfonamide?
The IUPAC name of N-ethyl-4-[[4-(2-methyl-1,3-thiazol-5-yl)-5-(trifluoromethyl)pyrimidin-2-yl]amino]piperidine-1-sulfonamide (CID 169183627) is N-ethyl-4-[[4-(2-methyl-1,3-thiazol-5-yl)-5-(trifluoromethyl)pyrimidin-2-yl]amino]piperidine-1-sulfonamide.
What is the SMILES notation for N-ethyl-4-[[4-(2-methyl-1,3-thiazol-5-yl)-5-(trifluoromethyl)pyrimidin-2-yl]amino]piperidine-1-sulfonamide?
The canonical SMILES for N-ethyl-4-[[4-(2-methyl-1,3-thiazol-5-yl)-5-(trifluoromethyl)pyrimidin-2-yl]amino]piperidine-1-sulfonamide is CCNS(=O)(=O)N1CCC(Nc2ncc(C(F)(F)F)c(-c3cnc(C)s3)n2)CC1.
What is the InChIKey of N-ethyl-4-[[4-(2-methyl-1,3-thiazol-5-yl)-5-(trifluoromethyl)pyrimidin-2-yl]amino]piperidine-1-sulfonamide?
The InChIKey is KUIQJDLECODJFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N6O2S2/c1-3-22-29(26,27)25-6-4-11(5-7-25)23-15-21-8-12(16(17,18)19)14(24-15)13-9-20-10(2)28-13/h8-9,11,22H,3-7H2,1-2H3,(H,21,23,24).
What are the key properties of N-ethyl-4-[[4-(2-methyl-1,3-thiazol-5-yl)-5-(trifluoromethyl)pyrimidin-2-yl]amino]piperidine-1-sulfonamide?
N-ethyl-4-[[4-(2-methyl-1,3-thiazol-5-yl)-5-(trifluoromethyl)pyrimidin-2-yl]amino]piperidine-1-sulfonamide has a molecular weight of 450.51 g/mol, XLogP of 2.66, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[[4-(2-methyl-1,3-thiazol-5-yl)-5-(trifluoromethyl)pyrimidin-2-yl]amino]piperidine-1-sulfonamide is sourced from PubChem (CID 169183627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).