(3S)-1-[(1R)-1-(1,3-thiazol-2-yl)ethyl]pyrrolidin-3-ol

C9H14N2OS — CID 86329851

IUPAC(3S)-1-[(1R)-1-(1,3-thiazol-2-yl)ethyl]pyrrolidin-3-ol
SMILESC[C@H](c1nccs1)N1CC[C@H](O)C1
InChIInChI=1S/C9H14N2OS/c1-7(9-10-3-5-13-9)11-4-2-8(12)6-11/h3,5,7-8,12H,2,4,6H2,1H3/t7-,8+/m1/s1
InChIKeyVREVUQMCBGOQCP-SFYZADRCSA-N
MW198.29 g/mol
LogP1.27
Rot. Bonds2

About (3S)-1-[(1R)-1-(1,3-thiazol-2-yl)ethyl]pyrrolidin-3-ol

(3S)-1-[(1R)-1-(1,3-thiazol-2-yl)ethyl]pyrrolidin-3-ol (PubChem CID 86329851) has the molecular formula C9H14N2OS and a molecular weight of 198.29 g/mol. Its IUPAC name is (3S)-1-[(1R)-1-(1,3-thiazol-2-yl)ethyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S)-1-[(1R)-1-(1,3-thiazol-2-yl)ethyl]pyrrolidin-3-ol
PubChem CID86329851
Molecular FormulaC9H14N2OS
Molecular Weight198.29 g/mol
Exact Mass198.08
IUPAC Name(3S)-1-[(1R)-1-(1,3-thiazol-2-yl)ethyl]pyrrolidin-3-ol
SMILESC[C@H](c1nccs1)N1CC[C@H](O)C1
InChIInChI=1S/C9H14N2OS/c1-7(9-10-3-5-13-9)11-4-2-8(12)6-11/h3,5,7-8,12H,2,4,6H2,1H3/t7-,8+/m1/s1
InChIKeyVREVUQMCBGOQCP-SFYZADRCSA-N
XLogP1.27
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-[1-(1,3-thiazol-2-yl)ethyl]pyrrolidin-3-amine;hydrochloride
CID 71637692
(3R)-N-methyl-1-[(1R)-1-(1,3-thiazol-2-yl)ethyl]piperidin-3-amine
CID 129427482
[(3S)-1-[(1R)-1-(1,3-thiazol-2-yl)ethyl]piperidin-3-yl]methanol
CID 86324532
(3S)-1-[(1S)-1-(1,3-thiazol-2-yl)ethyl]piperidine-3-carboxylic acid
CID 96925793
1-[1-[1-(1,3-thiazol-2-yl)ethyl]pyrrolidin-3-yl]piperidin-4-amine
CID 80552809
2-[1-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)ethyl]-1,3-thiazole
CID 79939420
[(3S)-1-[(1R)-1-(1,3-thiazol-2-yl)ethyl]piperidin-3-yl]methanamine
CID 98085621
2-[1-[1-(1,3-thiazol-2-yl)ethyl]piperidin-4-yl]oxyacetic acid
CID 65065474
2-[1-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)ethyl]-1,3-thiazole
CID 66211376
4-[1-(1,3-thiazol-2-yl)ethyl]piperazine-2-carboxylic acid
CID 71633476
N-methyl-1-[1-[1-(1,3-thiazol-2-yl)ethyl]piperidin-3-yl]methanamine
CID 64991097
(3S)-1-(1-pyridin-2-ylethyl)pyrrolidin-3-ol
CID 71301760

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(1R)-1-(1,3-thiazol-2-yl)ethyl]pyrrolidin-3-ol?
The IUPAC name of (3S)-1-[(1R)-1-(1,3-thiazol-2-yl)ethyl]pyrrolidin-3-ol (CID 86329851) is (3S)-1-[(1R)-1-(1,3-thiazol-2-yl)ethyl]pyrrolidin-3-ol.
What is the SMILES notation for (3S)-1-[(1R)-1-(1,3-thiazol-2-yl)ethyl]pyrrolidin-3-ol?
The canonical SMILES for (3S)-1-[(1R)-1-(1,3-thiazol-2-yl)ethyl]pyrrolidin-3-ol is C[C@H](c1nccs1)N1CC[C@H](O)C1.
What is the InChIKey of (3S)-1-[(1R)-1-(1,3-thiazol-2-yl)ethyl]pyrrolidin-3-ol?
The InChIKey is VREVUQMCBGOQCP-SFYZADRCSA-N. The full InChI is InChI=1S/C9H14N2OS/c1-7(9-10-3-5-13-9)11-4-2-8(12)6-11/h3,5,7-8,12H,2,4,6H2,1H3/t7-,8+/m1/s1.
What are the key properties of (3S)-1-[(1R)-1-(1,3-thiazol-2-yl)ethyl]pyrrolidin-3-ol?
(3S)-1-[(1R)-1-(1,3-thiazol-2-yl)ethyl]pyrrolidin-3-ol has a molecular weight of 198.29 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(1R)-1-(1,3-thiazol-2-yl)ethyl]pyrrolidin-3-ol is sourced from PubChem (CID 86329851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).