[(3R)-1-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]-3-prop-2-enylpiperidin-3-yl]methanol

C14H23N3OS — CID 97117424

IUPAC[(3R)-1-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]-3-prop-2-enylpiperidin-3-yl]methanol
SMILESC=CC[C@]1(CO)CCCN(Cc2csc(NC)n2)C1
InChIInChI=1S/C14H23N3OS/c1-3-5-14(11-18)6-4-7-17(10-14)8-12-9-19-13(15-2)16-12/h3,9,18H,1,4-8,10-11H2,2H3,(H,15,16)/t14-/m0/s1
InChIKeySOJLZFALWFOGLP-AWEZNQCLSA-N
MW281.42 g/mol
LogP2.34
Rot. Bonds6

About [(3R)-1-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]-3-prop-2-enylpiperidin-3-yl]methanol

[(3R)-1-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]-3-prop-2-enylpiperidin-3-yl]methanol (PubChem CID 97117424) has the molecular formula C14H23N3OS and a molecular weight of 281.42 g/mol. Its IUPAC name is [(3R)-1-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]-3-prop-2-enylpiperidin-3-yl]methanol.

Molecular Properties

Compound Name[(3R)-1-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]-3-prop-2-enylpiperidin-3-yl]methanol
PubChem CID97117424
Molecular FormulaC14H23N3OS
Molecular Weight281.42 g/mol
Exact Mass281.16
IUPAC Name[(3R)-1-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]-3-prop-2-enylpiperidin-3-yl]methanol
SMILESC=CC[C@]1(CO)CCCN(Cc2csc(NC)n2)C1
InChIInChI=1S/C14H23N3OS/c1-3-5-14(11-18)6-4-7-17(10-14)8-12-9-19-13(15-2)16-12/h3,9,18H,1,4-8,10-11H2,2H3,(H,15,16)/t14-/m0/s1
InChIKeySOJLZFALWFOGLP-AWEZNQCLSA-N
XLogP2.34
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(3R)-1-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]-3-prop-2-enylpiperidin-3-yl]methanol?
The IUPAC name of [(3R)-1-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]-3-prop-2-enylpiperidin-3-yl]methanol (CID 97117424) is [(3R)-1-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]-3-prop-2-enylpiperidin-3-yl]methanol.
What is the SMILES notation for [(3R)-1-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]-3-prop-2-enylpiperidin-3-yl]methanol?
The canonical SMILES for [(3R)-1-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]-3-prop-2-enylpiperidin-3-yl]methanol is C=CC[C@]1(CO)CCCN(Cc2csc(NC)n2)C1.
What is the InChIKey of [(3R)-1-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]-3-prop-2-enylpiperidin-3-yl]methanol?
The InChIKey is SOJLZFALWFOGLP-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H23N3OS/c1-3-5-14(11-18)6-4-7-17(10-14)8-12-9-19-13(15-2)16-12/h3,9,18H,1,4-8,10-11H2,2H3,(H,15,16)/t14-/m0/s1.
What are the key properties of [(3R)-1-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]-3-prop-2-enylpiperidin-3-yl]methanol?
[(3R)-1-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]-3-prop-2-enylpiperidin-3-yl]methanol has a molecular weight of 281.42 g/mol, XLogP of 2.34, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]-3-prop-2-enylpiperidin-3-yl]methanol is sourced from PubChem (CID 97117424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).