(4-methoxypyrrolidin-2-yl)-(1,2-thiazol-3-yl)methanol

C9H14N2O2S — CID 164650185

IUPAC(4-methoxypyrrolidin-2-yl)-(1,2-thiazol-3-yl)methanol
SMILESCOC1CNC(C(O)c2ccsn2)C1
InChIInChI=1S/C9H14N2O2S/c1-13-6-4-8(10-5-6)9(12)7-2-3-14-11-7/h2-3,6,8-10,12H,4-5H2,1H3
InChIKeySQFBPSZVHBQRMB-UHFFFAOYSA-N
MW214.29 g/mol
LogP0.55
Rot. Bonds3

About (4-methoxypyrrolidin-2-yl)-(1,2-thiazol-3-yl)methanol

(4-methoxypyrrolidin-2-yl)-(1,2-thiazol-3-yl)methanol (PubChem CID 164650185) has the molecular formula C9H14N2O2S and a molecular weight of 214.29 g/mol. Its IUPAC name is (4-methoxypyrrolidin-2-yl)-(1,2-thiazol-3-yl)methanol.

Molecular Properties

Compound Name(4-methoxypyrrolidin-2-yl)-(1,2-thiazol-3-yl)methanol
PubChem CID164650185
Molecular FormulaC9H14N2O2S
Molecular Weight214.29 g/mol
Exact Mass214.08
IUPAC Name(4-methoxypyrrolidin-2-yl)-(1,2-thiazol-3-yl)methanol
SMILESCOC1CNC(C(O)c2ccsn2)C1
InChIInChI=1S/C9H14N2O2S/c1-13-6-4-8(10-5-6)9(12)7-2-3-14-11-7/h2-3,6,8-10,12H,4-5H2,1H3
InChIKeySQFBPSZVHBQRMB-UHFFFAOYSA-N
XLogP0.55
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-methoxypyrrolidin-2-yl)-(1,2-thiazol-3-yl)methanol?
The IUPAC name of (4-methoxypyrrolidin-2-yl)-(1,2-thiazol-3-yl)methanol (CID 164650185) is (4-methoxypyrrolidin-2-yl)-(1,2-thiazol-3-yl)methanol.
What is the SMILES notation for (4-methoxypyrrolidin-2-yl)-(1,2-thiazol-3-yl)methanol?
The canonical SMILES for (4-methoxypyrrolidin-2-yl)-(1,2-thiazol-3-yl)methanol is COC1CNC(C(O)c2ccsn2)C1.
What is the InChIKey of (4-methoxypyrrolidin-2-yl)-(1,2-thiazol-3-yl)methanol?
The InChIKey is SQFBPSZVHBQRMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S/c1-13-6-4-8(10-5-6)9(12)7-2-3-14-11-7/h2-3,6,8-10,12H,4-5H2,1H3.
What are the key properties of (4-methoxypyrrolidin-2-yl)-(1,2-thiazol-3-yl)methanol?
(4-methoxypyrrolidin-2-yl)-(1,2-thiazol-3-yl)methanol has a molecular weight of 214.29 g/mol, XLogP of 0.55, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxypyrrolidin-2-yl)-(1,2-thiazol-3-yl)methanol is sourced from PubChem (CID 164650185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).