(4S)-3,3,4-trimethyl-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidin-4-ol

C13H23N3OS — CID 70742415

IUPAC(4S)-3,3,4-trimethyl-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidin-4-ol
SMILESCC(C)c1nnc(N2CC[C@](C)(O)C(C)(C)C2)s1
InChIInChI=1S/C13H23N3OS/c1-9(2)10-14-15-11(18-10)16-7-6-13(5,17)12(3,4)8-16/h9,17H,6-8H2,1-5H3/t13-/m0/s1
InChIKeyNNIFMPUWZKVNIC-ZDUSSCGKSA-N
MW269.41 g/mol
LogP2.65
Rot. Bonds2

About (4S)-3,3,4-trimethyl-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidin-4-ol

(4S)-3,3,4-trimethyl-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidin-4-ol (PubChem CID 70742415) has the molecular formula C13H23N3OS and a molecular weight of 269.41 g/mol. Its IUPAC name is (4S)-3,3,4-trimethyl-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidin-4-ol.

Molecular Properties

Compound Name(4S)-3,3,4-trimethyl-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidin-4-ol
PubChem CID70742415
Molecular FormulaC13H23N3OS
Molecular Weight269.41 g/mol
Exact Mass269.16
IUPAC Name(4S)-3,3,4-trimethyl-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidin-4-ol
SMILESCC(C)c1nnc(N2CC[C@](C)(O)C(C)(C)C2)s1
InChIInChI=1S/C13H23N3OS/c1-9(2)10-14-15-11(18-10)16-7-6-13(5,17)12(3,4)8-16/h9,17H,6-8H2,1-5H3/t13-/m0/s1
InChIKeyNNIFMPUWZKVNIC-ZDUSSCGKSA-N
XLogP2.65
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4aS,8aS)-7-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1,2,3,4,5,6,8,8a-octahydro-2,7-naphthyridin-4a-ol
CID 72879906
(3R,4R)-4-cyclobutyl-3-methyl-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidin-4-ol
CID 70721674
formic acid;2-methyl-9-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2,9-diazaspiro[5.5]undecan-4-ol
CID 172912332
2-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-6-oxa-2,9-diazaspiro[4.5]decan-8-one
CID 139599543
(4R)-1-methyl-2-oxo-8-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 97190831
2-[4-(2-methylpropyl)piperazin-1-yl]-5-propan-2-yl-1,3,4-thiadiazole
CID 133382514
(5R)-7-(oxan-4-yl)-2-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 97117710
2,6-dimethyl-4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)morpholine
CID 133365832
2-propan-2-yl-5-[(1R,5R)-6-propyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]-1,3,4-thiadiazole
CID 72924935
2-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-5-propan-2-yl-1,3,4-thiadiazole
CID 133448620
1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106983073
[1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]methanesulfonamide
CID 136514994

Frequently Asked Questions

What is the IUPAC name of (4S)-3,3,4-trimethyl-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidin-4-ol?
The IUPAC name of (4S)-3,3,4-trimethyl-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidin-4-ol (CID 70742415) is (4S)-3,3,4-trimethyl-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidin-4-ol.
What is the SMILES notation for (4S)-3,3,4-trimethyl-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidin-4-ol?
The canonical SMILES for (4S)-3,3,4-trimethyl-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidin-4-ol is CC(C)c1nnc(N2CC[C@](C)(O)C(C)(C)C2)s1.
What is the InChIKey of (4S)-3,3,4-trimethyl-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidin-4-ol?
The InChIKey is NNIFMPUWZKVNIC-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H23N3OS/c1-9(2)10-14-15-11(18-10)16-7-6-13(5,17)12(3,4)8-16/h9,17H,6-8H2,1-5H3/t13-/m0/s1.
What are the key properties of (4S)-3,3,4-trimethyl-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidin-4-ol?
(4S)-3,3,4-trimethyl-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidin-4-ol has a molecular weight of 269.41 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3,3,4-trimethyl-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidin-4-ol is sourced from PubChem (CID 70742415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).