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

C10H16N2OS — CID 63218439

IUPAC[2-(2,2-dimethylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methanol
SMILESCC1(C)CCCN1c1ncc(CO)s1
InChIInChI=1S/C10H16N2OS/c1-10(2)4-3-5-12(10)9-11-6-8(7-13)14-9/h6,13H,3-5,7H2,1-2H3
InChIKeyFADKEIOUSDYITO-UHFFFAOYSA-N
MW212.32 g/mol
LogP2.01
Rot. Bonds2

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

[2-(2,2-dimethylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methanol (PubChem CID 63218439) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is [2-(2,2-dimethylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[2-(2,2-dimethylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methanol
PubChem CID63218439
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC Name[2-(2,2-dimethylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methanol
SMILESCC1(C)CCCN1c1ncc(CO)s1
InChIInChI=1S/C10H16N2OS/c1-10(2)4-3-5-12(10)9-11-6-8(7-13)14-9/h6,13H,3-5,7H2,1-2H3
InChIKeyFADKEIOUSDYITO-UHFFFAOYSA-N
XLogP2.01
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(2,2-dimethylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methanol?
The IUPAC name of [2-(2,2-dimethylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methanol (CID 63218439) is [2-(2,2-dimethylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [2-(2,2-dimethylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [2-(2,2-dimethylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methanol is CC1(C)CCCN1c1ncc(CO)s1.
What is the InChIKey of [2-(2,2-dimethylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methanol?
The InChIKey is FADKEIOUSDYITO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS/c1-10(2)4-3-5-12(10)9-11-6-8(7-13)14-9/h6,13H,3-5,7H2,1-2H3.
What are the key properties of [2-(2,2-dimethylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methanol?
[2-(2,2-dimethylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methanol has a molecular weight of 212.32 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,2-dimethylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 63218439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).