(3S,4R)-4-[[5-chloro-4-[3-[(3R)-1,3-dimethylpiperidin-3-yl]-1,2,4-thiadiazol-5-yl]-2-pyridinyl]amino]oxan-3-ol

C19H26ClN5O2S — CID 171661372

IUPAC(3S,4R)-4-[[5-chloro-4-[3-[(3R)-1,3-dimethylpiperidin-3-yl]-1,2,4-thiadiazol-5-yl]-2-pyridinyl]amino]oxan-3-ol
SMILESCN1CCC[C@@](C)(c2nsc(-c3cc(N[C@@H]4CCOC[C@H]4O)ncc3Cl)n2)C1
InChIInChI=1S/C19H26ClN5O2S/c1-19(5-3-6-25(2)11-19)18-23-17(28-24-18)12-8-16(21-9-13(12)20)22-14-4-7-27-10-15(14)26/h8-9,14-15,26H,3-7,10-11H2,1-2H3,(H,21,22)/t14-,15-,19-/m1/s1
InChIKeyWFUDJBXPVGDEDF-SPYBWZPUSA-N
MW423.97 g/mol
LogP2.80
Rot. Bonds4

About (3S,4R)-4-[[5-chloro-4-[3-[(3R)-1,3-dimethylpiperidin-3-yl]-1,2,4-thiadiazol-5-yl]-2-pyridinyl]amino]oxan-3-ol

(3S,4R)-4-[[5-chloro-4-[3-[(3R)-1,3-dimethylpiperidin-3-yl]-1,2,4-thiadiazol-5-yl]-2-pyridinyl]amino]oxan-3-ol (PubChem CID 171661372) has the molecular formula C19H26ClN5O2S and a molecular weight of 423.97 g/mol. Its IUPAC name is (3S,4R)-4-[[5-chloro-4-[3-[(3R)-1,3-dimethylpiperidin-3-yl]-1,2,4-thiadiazol-5-yl]-2-pyridinyl]amino]oxan-3-ol.

Molecular Properties

Compound Name(3S,4R)-4-[[5-chloro-4-[3-[(3R)-1,3-dimethylpiperidin-3-yl]-1,2,4-thiadiazol-5-yl]-2-pyridinyl]amino]oxan-3-ol
PubChem CID171661372
Molecular FormulaC19H26ClN5O2S
Molecular Weight423.97 g/mol
Exact Mass423.15
IUPAC Name(3S,4R)-4-[[5-chloro-4-[3-[(3R)-1,3-dimethylpiperidin-3-yl]-1,2,4-thiadiazol-5-yl]-2-pyridinyl]amino]oxan-3-ol
SMILESCN1CCC[C@@](C)(c2nsc(-c3cc(N[C@@H]4CCOC[C@H]4O)ncc3Cl)n2)C1
InChIInChI=1S/C19H26ClN5O2S/c1-19(5-3-6-25(2)11-19)18-23-17(28-24-18)12-8-16(21-9-13(12)20)22-14-4-7-27-10-15(14)26/h8-9,14-15,26H,3-7,10-11H2,1-2H3,(H,21,22)/t14-,15-,19-/m1/s1
InChIKeyWFUDJBXPVGDEDF-SPYBWZPUSA-N
XLogP2.80
TPSA83.40 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.97
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze (3S,4R)-4-[[5-chloro-4-[3-[(3R)-1,3-dimethylpiperidin-3-yl]-1,2,4-thiadiazol-5-yl]-2-pyridinyl]amino]oxan-3-ol with MolForge

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Related Compounds

(3S,4R)-4-[[5-chloro-4-(3-piperidin-3-yl-1,2,4-thiadiazol-5-yl)-2-pyridinyl]amino]oxan-3-ol
CID 171661468
(3S,4R)-4-[[5-chloro-4-[2-(1,1-dioxothian-4-yl)-4-pyridinyl]-2-pyridinyl]amino]oxan-3-ol
CID 171660780
2-[5-chloro-2-[[(3S,4R)-3-hydroxyoxan-4-yl]amino]-4-pyridinyl]-7-cyclopropyl-5H-pyrazolo[1,5-a]pyrazin-4-one
CID 171660863
(3S,4R)-4-[[5-chloro-4-[7-fluoro-2-(2-hydroxypropan-2-yl)-3-propan-2-ylbenzimidazol-5-yl]-2-pyridinyl]amino]oxan-3-ol
CID 175991384
(3S,4S)-4-[[5-chloro-4-[6-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-yl]amino]oxan-3-ol
CID 171659620
N-[3-[[3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-methyl-2-oxo-1,6-naphthyridin-7-yl]amino]oxan-4-yl]acetamide
CID 123735229
5-[5-chloro-2-[[(3S,4R)-3-hydroxyoxan-4-yl]amino]pyrimidin-4-yl]-1-propan-2-yl-2H-pyridin-2-ol
CID 171660852
3-acetyl-1-cyclopentyl-7-[[(3S,4R)-3-hydroxyoxan-4-yl]amino]-4-methyl-1,6-naphthyridin-2-one
CID 155210486
(3S,4R)-4-[[5-chloro-4-(7'-fluoro-2'-propan-2-ylspiro[cyclopentane-1,3'-indole]-5'-yl)pyrimidin-2-yl]amino]oxan-3-ol
CID 168948300
N-[3-[[2-(2,6-dichloro-3,5-dimethoxybenzoyl)thieno[2,3-c]pyridin-5-yl]amino]oxan-4-yl]prop-2-enamide
CID 155058234
(3S,4R)-4-[[4-[4-[tert-butyl(dimethyl)silyl]oxy-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-3-yl]-5-chloropyrimidin-2-yl]amino]oxan-3-ol
CID 171660238
5-[5-chloro-2-[[(3S,4R)-3-hydroxyoxan-4-yl]amino]pyrimidin-4-yl]-1-(2-methylsulfonylethyl)pyridin-2-one
CID 171660278

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-[[5-chloro-4-[3-[(3R)-1,3-dimethylpiperidin-3-yl]-1,2,4-thiadiazol-5-yl]-2-pyridinyl]amino]oxan-3-ol?
The IUPAC name of (3S,4R)-4-[[5-chloro-4-[3-[(3R)-1,3-dimethylpiperidin-3-yl]-1,2,4-thiadiazol-5-yl]-2-pyridinyl]amino]oxan-3-ol (CID 171661372) is (3S,4R)-4-[[5-chloro-4-[3-[(3R)-1,3-dimethylpiperidin-3-yl]-1,2,4-thiadiazol-5-yl]-2-pyridinyl]amino]oxan-3-ol.
What is the SMILES notation for (3S,4R)-4-[[5-chloro-4-[3-[(3R)-1,3-dimethylpiperidin-3-yl]-1,2,4-thiadiazol-5-yl]-2-pyridinyl]amino]oxan-3-ol?
The canonical SMILES for (3S,4R)-4-[[5-chloro-4-[3-[(3R)-1,3-dimethylpiperidin-3-yl]-1,2,4-thiadiazol-5-yl]-2-pyridinyl]amino]oxan-3-ol is CN1CCC[C@@](C)(c2nsc(-c3cc(N[C@@H]4CCOC[C@H]4O)ncc3Cl)n2)C1.
What is the InChIKey of (3S,4R)-4-[[5-chloro-4-[3-[(3R)-1,3-dimethylpiperidin-3-yl]-1,2,4-thiadiazol-5-yl]-2-pyridinyl]amino]oxan-3-ol?
The InChIKey is WFUDJBXPVGDEDF-SPYBWZPUSA-N. The full InChI is InChI=1S/C19H26ClN5O2S/c1-19(5-3-6-25(2)11-19)18-23-17(28-24-18)12-8-16(21-9-13(12)20)22-14-4-7-27-10-15(14)26/h8-9,14-15,26H,3-7,10-11H2,1-2H3,(H,21,22)/t14-,15-,19-/m1/s1.
What are the key properties of (3S,4R)-4-[[5-chloro-4-[3-[(3R)-1,3-dimethylpiperidin-3-yl]-1,2,4-thiadiazol-5-yl]-2-pyridinyl]amino]oxan-3-ol?
(3S,4R)-4-[[5-chloro-4-[3-[(3R)-1,3-dimethylpiperidin-3-yl]-1,2,4-thiadiazol-5-yl]-2-pyridinyl]amino]oxan-3-ol has a molecular weight of 423.97 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-[[5-chloro-4-[3-[(3R)-1,3-dimethylpiperidin-3-yl]-1,2,4-thiadiazol-5-yl]-2-pyridinyl]amino]oxan-3-ol is sourced from PubChem (CID 171661372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).