(3R)-3,4,4-trimethyl-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-ol

C11H18N2OS — CID 72916097

IUPAC(3R)-3,4,4-trimethyl-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-ol
SMILESCC1(C)CN(Cc2nccs2)C[C@]1(C)O
InChIInChI=1S/C11H18N2OS/c1-10(2)7-13(8-11(10,3)14)6-9-12-4-5-15-9/h4-5,14H,6-8H2,1-3H3/t11-/m0/s1
InChIKeyFSSJAVBVDWRWFY-NSHDSACASA-N
MW226.34 g/mol
LogP1.74
Rot. Bonds2

About (3R)-3,4,4-trimethyl-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-ol

(3R)-3,4,4-trimethyl-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-ol (PubChem CID 72916097) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is (3R)-3,4,4-trimethyl-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R)-3,4,4-trimethyl-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-ol
PubChem CID72916097
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC Name(3R)-3,4,4-trimethyl-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-ol
SMILESCC1(C)CN(Cc2nccs2)C[C@]1(C)O
InChIInChI=1S/C11H18N2OS/c1-10(2)7-13(8-11(10,3)14)6-9-12-4-5-15-9/h4-5,14H,6-8H2,1-3H3/t11-/m0/s1
InChIKeyFSSJAVBVDWRWFY-NSHDSACASA-N
XLogP1.74
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-3,4,4-trimethyl-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-ol?
The IUPAC name of (3R)-3,4,4-trimethyl-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-ol (CID 72916097) is (3R)-3,4,4-trimethyl-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-ol.
What is the SMILES notation for (3R)-3,4,4-trimethyl-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-ol?
The canonical SMILES for (3R)-3,4,4-trimethyl-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-ol is CC1(C)CN(Cc2nccs2)C[C@]1(C)O.
What is the InChIKey of (3R)-3,4,4-trimethyl-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-ol?
The InChIKey is FSSJAVBVDWRWFY-NSHDSACASA-N. The full InChI is InChI=1S/C11H18N2OS/c1-10(2)7-13(8-11(10,3)14)6-9-12-4-5-15-9/h4-5,14H,6-8H2,1-3H3/t11-/m0/s1.
What are the key properties of (3R)-3,4,4-trimethyl-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-ol?
(3R)-3,4,4-trimethyl-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-ol has a molecular weight of 226.34 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3,4,4-trimethyl-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-ol is sourced from PubChem (CID 72916097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).