[2-(1-propan-2-ylpyrrolidin-3-yl)-1,3-thiazol-5-yl]methanol

C11H18N2OS — CID 115089756

IUPAC[2-(1-propan-2-ylpyrrolidin-3-yl)-1,3-thiazol-5-yl]methanol
SMILESCC(C)N1CCC(c2ncc(CO)s2)C1
InChIInChI=1S/C11H18N2OS/c1-8(2)13-4-3-9(6-13)11-12-5-10(7-14)15-11/h5,8-9,14H,3-4,6-7H2,1-2H3
InChIKeyKYQYQWMYEABNDZ-UHFFFAOYSA-N
MW226.34 g/mol
LogP1.83
Rot. Bonds3

About [2-(1-propan-2-ylpyrrolidin-3-yl)-1,3-thiazol-5-yl]methanol

[2-(1-propan-2-ylpyrrolidin-3-yl)-1,3-thiazol-5-yl]methanol (PubChem CID 115089756) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is [2-(1-propan-2-ylpyrrolidin-3-yl)-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[2-(1-propan-2-ylpyrrolidin-3-yl)-1,3-thiazol-5-yl]methanol
PubChem CID115089756
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC Name[2-(1-propan-2-ylpyrrolidin-3-yl)-1,3-thiazol-5-yl]methanol
SMILESCC(C)N1CCC(c2ncc(CO)s2)C1
InChIInChI=1S/C11H18N2OS/c1-8(2)13-4-3-9(6-13)11-12-5-10(7-14)15-11/h5,8-9,14H,3-4,6-7H2,1-2H3
InChIKeyKYQYQWMYEABNDZ-UHFFFAOYSA-N
XLogP1.83
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(1-propan-2-ylpyrrolidin-3-yl)-1,3-thiazol-5-yl]methanol?
The IUPAC name of [2-(1-propan-2-ylpyrrolidin-3-yl)-1,3-thiazol-5-yl]methanol (CID 115089756) is [2-(1-propan-2-ylpyrrolidin-3-yl)-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [2-(1-propan-2-ylpyrrolidin-3-yl)-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [2-(1-propan-2-ylpyrrolidin-3-yl)-1,3-thiazol-5-yl]methanol is CC(C)N1CCC(c2ncc(CO)s2)C1.
What is the InChIKey of [2-(1-propan-2-ylpyrrolidin-3-yl)-1,3-thiazol-5-yl]methanol?
The InChIKey is KYQYQWMYEABNDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-8(2)13-4-3-9(6-13)11-12-5-10(7-14)15-11/h5,8-9,14H,3-4,6-7H2,1-2H3.
What are the key properties of [2-(1-propan-2-ylpyrrolidin-3-yl)-1,3-thiazol-5-yl]methanol?
[2-(1-propan-2-ylpyrrolidin-3-yl)-1,3-thiazol-5-yl]methanol has a molecular weight of 226.34 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-propan-2-ylpyrrolidin-3-yl)-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 115089756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).