(3S,4S)-3-cyclobutyl-4-methyl-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-ol

C13H20N2OS — CID 164629948

IUPAC(3S,4S)-3-cyclobutyl-4-methyl-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-ol
SMILESC[C@H]1CN(Cc2nccs2)C[C@]1(O)C1CCC1
InChIInChI=1S/C13H20N2OS/c1-10-7-15(8-12-14-5-6-17-12)9-13(10,16)11-3-2-4-11/h5-6,10-11,16H,2-4,7-9H2,1H3/t10-,13+/m0/s1
InChIKeyFQXRRCIXHIZKRW-GXFFZTMASA-N
MW252.38 g/mol
LogP2.13
Rot. Bonds3

About (3S,4S)-3-cyclobutyl-4-methyl-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-ol

(3S,4S)-3-cyclobutyl-4-methyl-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-ol (PubChem CID 164629948) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is (3S,4S)-3-cyclobutyl-4-methyl-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S,4S)-3-cyclobutyl-4-methyl-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-ol
PubChem CID164629948
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC Name(3S,4S)-3-cyclobutyl-4-methyl-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-ol
SMILESC[C@H]1CN(Cc2nccs2)C[C@]1(O)C1CCC1
InChIInChI=1S/C13H20N2OS/c1-10-7-15(8-12-14-5-6-17-12)9-13(10,16)11-3-2-4-11/h5-6,10-11,16H,2-4,7-9H2,1H3/t10-,13+/m0/s1
InChIKeyFQXRRCIXHIZKRW-GXFFZTMASA-N
XLogP2.13
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-3-cyclobutyl-4-methyl-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-ol?
The IUPAC name of (3S,4S)-3-cyclobutyl-4-methyl-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-ol (CID 164629948) is (3S,4S)-3-cyclobutyl-4-methyl-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-ol.
What is the SMILES notation for (3S,4S)-3-cyclobutyl-4-methyl-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-ol?
The canonical SMILES for (3S,4S)-3-cyclobutyl-4-methyl-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-ol is C[C@H]1CN(Cc2nccs2)C[C@]1(O)C1CCC1.
What is the InChIKey of (3S,4S)-3-cyclobutyl-4-methyl-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-ol?
The InChIKey is FQXRRCIXHIZKRW-GXFFZTMASA-N. The full InChI is InChI=1S/C13H20N2OS/c1-10-7-15(8-12-14-5-6-17-12)9-13(10,16)11-3-2-4-11/h5-6,10-11,16H,2-4,7-9H2,1H3/t10-,13+/m0/s1.
What are the key properties of (3S,4S)-3-cyclobutyl-4-methyl-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-ol?
(3S,4S)-3-cyclobutyl-4-methyl-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-ol has a molecular weight of 252.38 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-3-cyclobutyl-4-methyl-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-ol is sourced from PubChem (CID 164629948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).