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

C10H17N3OS — CID 124508353

IUPAC(2S)-1-(5-piperidin-1-yl-1,2,4-thiadiazol-3-yl)propan-2-ol
SMILESC[C@H](O)Cc1nsc(N2CCCCC2)n1
InChIInChI=1S/C10H17N3OS/c1-8(14)7-9-11-10(15-12-9)13-5-3-2-4-6-13/h8,14H,2-7H2,1H3/t8-/m0/s1
InChIKeyFQKYRUVPIKRWRO-QMMMGPOBSA-N
MW227.33 g/mol
LogP1.45
Rot. Bonds3

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

(2S)-1-(5-piperidin-1-yl-1,2,4-thiadiazol-3-yl)propan-2-ol (PubChem CID 124508353) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is (2S)-1-(5-piperidin-1-yl-1,2,4-thiadiazol-3-yl)propan-2-ol.

Molecular Properties

Compound Name(2S)-1-(5-piperidin-1-yl-1,2,4-thiadiazol-3-yl)propan-2-ol
PubChem CID124508353
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC Name(2S)-1-(5-piperidin-1-yl-1,2,4-thiadiazol-3-yl)propan-2-ol
SMILESC[C@H](O)Cc1nsc(N2CCCCC2)n1
InChIInChI=1S/C10H17N3OS/c1-8(14)7-9-11-10(15-12-9)13-5-3-2-4-6-13/h8,14H,2-7H2,1H3/t8-/m0/s1
InChIKeyFQKYRUVPIKRWRO-QMMMGPOBSA-N
XLogP1.45
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-cyclohexylpiperazin-1-yl)-3-(2-methylpropyl)-1,2,4-thiadiazole
CID 133493059
2-[1-[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]piperidin-3-yl]acetamide
CID 133485154
5-(azocan-1-yl)-1,2,4-thiadiazol-3-amine
CID 66280784
1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidine-4-carboxylic acid
CID 65273603
1-[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]pyrrolidine-2-carboxylic acid
CID 122058781
2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propanamide
CID 133328642
5-(4-bromoazepan-1-yl)-3-ethyl-1,2,4-thiadiazole
CID 130774667
1-(3-ethyl-1,2,4-thiadiazol-5-yl)-4-methylpiperidin-4-ol
CID 80702083
3-ethyl-5-piperazin-1-yl-1,2,4-thiadiazole
CID 53403990
4-amino-1-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]pentan-1-one;dihydrochloride
CID 120565953
4-amino-1-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]pentan-1-one
CID 120565954
3-(2-methylpropyl)-5-[4-(oxolan-2-ylmethoxy)piperidin-1-yl]-1,2,4-thiadiazole
CID 133485848

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(5-piperidin-1-yl-1,2,4-thiadiazol-3-yl)propan-2-ol?
The IUPAC name of (2S)-1-(5-piperidin-1-yl-1,2,4-thiadiazol-3-yl)propan-2-ol (CID 124508353) is (2S)-1-(5-piperidin-1-yl-1,2,4-thiadiazol-3-yl)propan-2-ol.
What is the SMILES notation for (2S)-1-(5-piperidin-1-yl-1,2,4-thiadiazol-3-yl)propan-2-ol?
The canonical SMILES for (2S)-1-(5-piperidin-1-yl-1,2,4-thiadiazol-3-yl)propan-2-ol is C[C@H](O)Cc1nsc(N2CCCCC2)n1.
What is the InChIKey of (2S)-1-(5-piperidin-1-yl-1,2,4-thiadiazol-3-yl)propan-2-ol?
The InChIKey is FQKYRUVPIKRWRO-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H17N3OS/c1-8(14)7-9-11-10(15-12-9)13-5-3-2-4-6-13/h8,14H,2-7H2,1H3/t8-/m0/s1.
What are the key properties of (2S)-1-(5-piperidin-1-yl-1,2,4-thiadiazol-3-yl)propan-2-ol?
(2S)-1-(5-piperidin-1-yl-1,2,4-thiadiazol-3-yl)propan-2-ol has a molecular weight of 227.33 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(5-piperidin-1-yl-1,2,4-thiadiazol-3-yl)propan-2-ol is sourced from PubChem (CID 124508353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).