(3S)-3-methyl-1-(5-propan-2-yl-1,3-thiazol-2-yl)pyrrolidin-3-ol

C11H18N2OS — CID 164636086

IUPAC(3S)-3-methyl-1-(5-propan-2-yl-1,3-thiazol-2-yl)pyrrolidin-3-ol
SMILESCC(C)c1cnc(N2CC[C@](C)(O)C2)s1
InChIInChI=1S/C11H18N2OS/c1-8(2)9-6-12-10(15-9)13-5-4-11(3,14)7-13/h6,8,14H,4-5,7H2,1-3H3/t11-/m0/s1
InChIKeyFCYPMPDEDSQWBN-NSHDSACASA-N
MW226.34 g/mol
LogP2.23
Rot. Bonds2

About (3S)-3-methyl-1-(5-propan-2-yl-1,3-thiazol-2-yl)pyrrolidin-3-ol

(3S)-3-methyl-1-(5-propan-2-yl-1,3-thiazol-2-yl)pyrrolidin-3-ol (PubChem CID 164636086) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is (3S)-3-methyl-1-(5-propan-2-yl-1,3-thiazol-2-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S)-3-methyl-1-(5-propan-2-yl-1,3-thiazol-2-yl)pyrrolidin-3-ol
PubChem CID164636086
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC Name(3S)-3-methyl-1-(5-propan-2-yl-1,3-thiazol-2-yl)pyrrolidin-3-ol
SMILESCC(C)c1cnc(N2CC[C@](C)(O)C2)s1
InChIInChI=1S/C11H18N2OS/c1-8(2)9-6-12-10(15-9)13-5-4-11(3,14)7-13/h6,8,14H,4-5,7H2,1-3H3/t11-/m0/s1
InChIKeyFCYPMPDEDSQWBN-NSHDSACASA-N
XLogP2.23
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 ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-methyl-1-(5-propan-2-yl-1,3-thiazol-2-yl)pyrrolidin-3-ol?
The IUPAC name of (3S)-3-methyl-1-(5-propan-2-yl-1,3-thiazol-2-yl)pyrrolidin-3-ol (CID 164636086) is (3S)-3-methyl-1-(5-propan-2-yl-1,3-thiazol-2-yl)pyrrolidin-3-ol.
What is the SMILES notation for (3S)-3-methyl-1-(5-propan-2-yl-1,3-thiazol-2-yl)pyrrolidin-3-ol?
The canonical SMILES for (3S)-3-methyl-1-(5-propan-2-yl-1,3-thiazol-2-yl)pyrrolidin-3-ol is CC(C)c1cnc(N2CC[C@](C)(O)C2)s1.
What is the InChIKey of (3S)-3-methyl-1-(5-propan-2-yl-1,3-thiazol-2-yl)pyrrolidin-3-ol?
The InChIKey is FCYPMPDEDSQWBN-NSHDSACASA-N. The full InChI is InChI=1S/C11H18N2OS/c1-8(2)9-6-12-10(15-9)13-5-4-11(3,14)7-13/h6,8,14H,4-5,7H2,1-3H3/t11-/m0/s1.
What are the key properties of (3S)-3-methyl-1-(5-propan-2-yl-1,3-thiazol-2-yl)pyrrolidin-3-ol?
(3S)-3-methyl-1-(5-propan-2-yl-1,3-thiazol-2-yl)pyrrolidin-3-ol has a molecular weight of 226.34 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methyl-1-(5-propan-2-yl-1,3-thiazol-2-yl)pyrrolidin-3-ol is sourced from PubChem (CID 164636086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).