(3S)-3-fluoro-1-(1-methylimidazol-4-yl)sulfonylpiperidine;4-(5-methyl-1,3-thiazol-2-yl)-5-(trifluoromethyl)pyrimidin-2-amine;molecular hydrogen

C18H23F4N7O2S2 — CID 171510384

IUPAC(3S)-3-fluoro-1-(1-methylimidazol-4-yl)sulfonylpiperidine;4-(5-methyl-1,3-thiazol-2-yl)-5-(trifluoromethyl)pyrimidin-2-amine;molecular hydrogen
SMILESCc1cnc(-c2nc(N)ncc2C(F)(F)F)s1.Cn1cnc(S(=O)(=O)N2CCC[C@H](F)C2)c1.[H][H]
InChIInChI=1S/C9H7F3N4S.C9H14FN3O2S.H2/c1-4-2-14-7(17-4)6-5(9(10,11)12)3-15-8(13)16-6;1-12-6-9(11-7-12)16(14,15)13-4-2-3-8(10)5-13;/h2-3H,1H3,(H2,13,15,16);6-8H,2-5H2,1H3;1H/t;8-;/m.0./s1
InChIKeyAZOQHPMFHYNJCT-JGUUTJLBSA-N
MW509.56 g/mol
LogP3.30
Rot. Bonds3

About (3S)-3-fluoro-1-(1-methylimidazol-4-yl)sulfonylpiperidine;4-(5-methyl-1,3-thiazol-2-yl)-5-(trifluoromethyl)pyrimidin-2-amine;molecular hydrogen

(3S)-3-fluoro-1-(1-methylimidazol-4-yl)sulfonylpiperidine;4-(5-methyl-1,3-thiazol-2-yl)-5-(trifluoromethyl)pyrimidin-2-amine;molecular hydrogen (PubChem CID 171510384) has the molecular formula C18H23F4N7O2S2 and a molecular weight of 509.56 g/mol. Its IUPAC name is (3S)-3-fluoro-1-(1-methylimidazol-4-yl)sulfonylpiperidine;4-(5-methyl-1,3-thiazol-2-yl)-5-(trifluoromethyl)pyrimidin-2-amine;molecular hydrogen.

Molecular Properties

Compound Name(3S)-3-fluoro-1-(1-methylimidazol-4-yl)sulfonylpiperidine;4-(5-methyl-1,3-thiazol-2-yl)-5-(trifluoromethyl)pyrimidin-2-amine;molecular hydrogen
PubChem CID171510384
Molecular FormulaC18H23F4N7O2S2
Molecular Weight509.56 g/mol
Exact Mass509.13
IUPAC Name(3S)-3-fluoro-1-(1-methylimidazol-4-yl)sulfonylpiperidine;4-(5-methyl-1,3-thiazol-2-yl)-5-(trifluoromethyl)pyrimidin-2-amine;molecular hydrogen
SMILESCc1cnc(-c2nc(N)ncc2C(F)(F)F)s1.Cn1cnc(S(=O)(=O)N2CCC[C@H](F)C2)c1.[H][H]
InChIInChI=1S/C9H7F3N4S.C9H14FN3O2S.H2/c1-4-2-14-7(17-4)6-5(9(10,11)12)3-15-8(13)16-6;1-12-6-9(11-7-12)16(14,15)13-4-2-3-8(10)5-13;/h2-3H,1H3,(H2,13,15,16);6-8H,2-5H2,1H3;1H/t;8-;/m.0./s1
InChIKeyAZOQHPMFHYNJCT-JGUUTJLBSA-N
XLogP3.30
TPSA119.89 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.56
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze (3S)-3-fluoro-1-(1-methylimidazol-4-yl)sulfonylpiperidine;4-(5-methyl-1,3-thiazol-2-yl)-5-(trifluoromethyl)pyrimidin-2-amine;molecular hydrogen with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-[2-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]-1,3-thiazol-5-yl]propan-2-ol
CID 171468910
1,1-difluoro-2-[2-[2-[[(3R,4S)-3-methyl-1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]-1,3-thiazol-5-yl]propan-2-ol
CID 171468926
5-[2-[[(3R,4S)-3-fluoro-1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]-2-methylthiophene-3-carbonitrile;molecular hydrogen
CID 171510419
2-methyl-1-[2-[2-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]-1,3-thiazol-5-yl]propan-2-ol
CID 171468962
N-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-4-(1,3-thiazol-2-yl)-5-(trifluoromethyl)pyrimidin-2-amine
CID 171468876
1-(1-methylimidazol-4-yl)sulfonyl-3-(4-methyl-1H-pyrazol-5-yl)piperidine
CID 110257171
(3S)-1-(1-methylimidazol-4-yl)sulfonyl-3-(4-methyl-1H-pyrazol-5-yl)piperidine
CID 95824669
(4S)-1-(1-methylimidazol-4-yl)sulfonylazepan-4-amine
CID 95715901
[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]methanamine
CID 62374632
N-methyl-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-amine;hydrochloride
CID 120714982
5-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-1,3-oxazole
CID 110096443
5-methyl-N-[2-methyl-6-[[(3R)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]methyl]pyrimidin-4-yl]-1,3-thiazol-2-amine
CID 95842141

Frequently Asked Questions

What is the IUPAC name of (3S)-3-fluoro-1-(1-methylimidazol-4-yl)sulfonylpiperidine;4-(5-methyl-1,3-thiazol-2-yl)-5-(trifluoromethyl)pyrimidin-2-amine;molecular hydrogen?
The IUPAC name of (3S)-3-fluoro-1-(1-methylimidazol-4-yl)sulfonylpiperidine;4-(5-methyl-1,3-thiazol-2-yl)-5-(trifluoromethyl)pyrimidin-2-amine;molecular hydrogen (CID 171510384) is (3S)-3-fluoro-1-(1-methylimidazol-4-yl)sulfonylpiperidine;4-(5-methyl-1,3-thiazol-2-yl)-5-(trifluoromethyl)pyrimidin-2-amine;molecular hydrogen.
What is the SMILES notation for (3S)-3-fluoro-1-(1-methylimidazol-4-yl)sulfonylpiperidine;4-(5-methyl-1,3-thiazol-2-yl)-5-(trifluoromethyl)pyrimidin-2-amine;molecular hydrogen?
The canonical SMILES for (3S)-3-fluoro-1-(1-methylimidazol-4-yl)sulfonylpiperidine;4-(5-methyl-1,3-thiazol-2-yl)-5-(trifluoromethyl)pyrimidin-2-amine;molecular hydrogen is Cc1cnc(-c2nc(N)ncc2C(F)(F)F)s1.Cn1cnc(S(=O)(=O)N2CCC[C@H](F)C2)c1.[H][H].
What is the InChIKey of (3S)-3-fluoro-1-(1-methylimidazol-4-yl)sulfonylpiperidine;4-(5-methyl-1,3-thiazol-2-yl)-5-(trifluoromethyl)pyrimidin-2-amine;molecular hydrogen?
The InChIKey is AZOQHPMFHYNJCT-JGUUTJLBSA-N. The full InChI is InChI=1S/C9H7F3N4S.C9H14FN3O2S.H2/c1-4-2-14-7(17-4)6-5(9(10,11)12)3-15-8(13)16-6;1-12-6-9(11-7-12)16(14,15)13-4-2-3-8(10)5-13;/h2-3H,1H3,(H2,13,15,16);6-8H,2-5H2,1H3;1H/t;8-;/m.0./s1.
What are the key properties of (3S)-3-fluoro-1-(1-methylimidazol-4-yl)sulfonylpiperidine;4-(5-methyl-1,3-thiazol-2-yl)-5-(trifluoromethyl)pyrimidin-2-amine;molecular hydrogen?
(3S)-3-fluoro-1-(1-methylimidazol-4-yl)sulfonylpiperidine;4-(5-methyl-1,3-thiazol-2-yl)-5-(trifluoromethyl)pyrimidin-2-amine;molecular hydrogen has a molecular weight of 509.56 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-fluoro-1-(1-methylimidazol-4-yl)sulfonylpiperidine;4-(5-methyl-1,3-thiazol-2-yl)-5-(trifluoromethyl)pyrimidin-2-amine;molecular hydrogen is sourced from PubChem (CID 171510384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).