(3S)-1-(3-ethyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-ol

C8H13N3OS — CID 103718731

IUPAC(3S)-1-(3-ethyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-ol
SMILESCCc1nsc(N2CC[C@H](O)C2)n1
InChIInChI=1S/C8H13N3OS/c1-2-7-9-8(13-10-7)11-4-3-6(12)5-11/h6,12H,2-5H2,1H3/t6-/m0/s1
InChIKeyGJWQZQNOUWPPRY-LURJTMIESA-N
MW199.28 g/mol
LogP0.67
Rot. Bonds2

About (3S)-1-(3-ethyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-ol

(3S)-1-(3-ethyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-ol (PubChem CID 103718731) has the molecular formula C8H13N3OS and a molecular weight of 199.28 g/mol. Its IUPAC name is (3S)-1-(3-ethyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S)-1-(3-ethyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-ol
PubChem CID103718731
Molecular FormulaC8H13N3OS
Molecular Weight199.28 g/mol
Exact Mass199.08
IUPAC Name(3S)-1-(3-ethyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-ol
SMILESCCc1nsc(N2CC[C@H](O)C2)n1
InChIInChI=1S/C8H13N3OS/c1-2-7-9-8(13-10-7)11-4-3-6(12)5-11/h6,12H,2-5H2,1H3/t6-/m0/s1
InChIKeyGJWQZQNOUWPPRY-LURJTMIESA-N
XLogP0.67
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-ol
CID 165434371
5-(3-bromopyrrolidin-1-yl)-3-ethyl-1,2,4-thiadiazole
CID 80670014
5-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-ethyl-1,2,4-thiadiazole
CID 115314602
1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidine-4-carboxylic acid
CID 65273603
1-(3-propyl-1,2,4-thiadiazol-5-yl)azetidin-3-ol
CID 65275177
1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-3-amine
CID 65275986
5-(3-chloropiperidin-1-yl)-3-ethyl-1,2,4-thiadiazole
CID 65277628
5-[3-(bromomethyl)piperidin-1-yl]-3-ethyl-1,2,4-thiadiazole
CID 80673176
5-(4-bromoazepan-1-yl)-3-ethyl-1,2,4-thiadiazole
CID 130774667
1-(3-ethyl-1,2,4-thiadiazol-5-yl)-3-methylpyrrolidine-2-carboxylic acid
CID 102776659
5-[(4aR,8aR)-1-cyclopropyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl]-3-ethyl-1,2,4-thiadiazole
CID 124889064
5-[3-(2,6-difluorophenyl)pyrrolidin-1-yl]-3-ethyl-1,2,4-thiadiazole
CID 133480716

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(3-ethyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-ol?
The IUPAC name of (3S)-1-(3-ethyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-ol (CID 103718731) is (3S)-1-(3-ethyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-ol.
What is the SMILES notation for (3S)-1-(3-ethyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-ol?
The canonical SMILES for (3S)-1-(3-ethyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-ol is CCc1nsc(N2CC[C@H](O)C2)n1.
What is the InChIKey of (3S)-1-(3-ethyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-ol?
The InChIKey is GJWQZQNOUWPPRY-LURJTMIESA-N. The full InChI is InChI=1S/C8H13N3OS/c1-2-7-9-8(13-10-7)11-4-3-6(12)5-11/h6,12H,2-5H2,1H3/t6-/m0/s1.
What are the key properties of (3S)-1-(3-ethyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-ol?
(3S)-1-(3-ethyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-ol has a molecular weight of 199.28 g/mol, XLogP of 0.67, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(3-ethyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-ol is sourced from PubChem (CID 103718731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).