[2-[(1-methylpyrrolidin-3-yl)methyl]-1,3-thiazol-4-yl]methanol

C10H16N2OS — CID 115087908

IUPAC[2-[(1-methylpyrrolidin-3-yl)methyl]-1,3-thiazol-4-yl]methanol
SMILESCN1CCC(Cc2nc(CO)cs2)C1
InChIInChI=1S/C10H16N2OS/c1-12-3-2-8(5-12)4-10-11-9(6-13)7-14-10/h7-8,13H,2-6H2,1H3
InChIKeyCTGKNRNZIMVSAT-UHFFFAOYSA-N
MW212.32 g/mol
LogP1.13
Rot. Bonds3

About [2-[(1-methylpyrrolidin-3-yl)methyl]-1,3-thiazol-4-yl]methanol

[2-[(1-methylpyrrolidin-3-yl)methyl]-1,3-thiazol-4-yl]methanol (PubChem CID 115087908) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is [2-[(1-methylpyrrolidin-3-yl)methyl]-1,3-thiazol-4-yl]methanol.

Molecular Properties

Compound Name[2-[(1-methylpyrrolidin-3-yl)methyl]-1,3-thiazol-4-yl]methanol
PubChem CID115087908
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC Name[2-[(1-methylpyrrolidin-3-yl)methyl]-1,3-thiazol-4-yl]methanol
SMILESCN1CCC(Cc2nc(CO)cs2)C1
InChIInChI=1S/C10H16N2OS/c1-12-3-2-8(5-12)4-10-11-9(6-13)7-14-10/h7-8,13H,2-6H2,1H3
InChIKeyCTGKNRNZIMVSAT-UHFFFAOYSA-N
XLogP1.13
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[(1-methylpiperidin-3-yl)methyl]-1,3-thiazol-4-yl]methanol
CID 115088901
N-methyl-3-[2-[(1-methylpyrrolidin-3-yl)methyl]-1,3-thiazol-4-yl]propan-1-amine
CID 115088029
[2-[(1,1-dioxothiolan-3-yl)methyl]-1,3-thiazol-4-yl]methanol
CID 115087903
[2-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-thiazol-4-yl]methanamine
CID 115087977
2-[2-[(1-methylpiperidin-4-yl)methyl]-1,3-thiazol-4-yl]propan-1-ol
CID 115088116
2-[2-[(1-propan-2-ylpiperidin-3-yl)methyl]-1,3-thiazol-4-yl]ethanol
CID 115088933
1-[2-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-thiazol-4-yl]-N-methylmethanamine
CID 115087989
3-[2-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-thiazol-4-yl]propanoic acid
CID 115088049
[2-(1,4-dimethylpiperazin-2-yl)-1,3-thiazol-4-yl]methanol
CID 79666984
2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]acetamide
CID 63275198
3-[2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-thiazol-4-yl]propan-1-amine
CID 115088031
[2-(thian-2-ylmethyl)-1,3-thiazol-4-yl]methanol
CID 115088747

Frequently Asked Questions

What is the IUPAC name of [2-[(1-methylpyrrolidin-3-yl)methyl]-1,3-thiazol-4-yl]methanol?
The IUPAC name of [2-[(1-methylpyrrolidin-3-yl)methyl]-1,3-thiazol-4-yl]methanol (CID 115087908) is [2-[(1-methylpyrrolidin-3-yl)methyl]-1,3-thiazol-4-yl]methanol.
What is the SMILES notation for [2-[(1-methylpyrrolidin-3-yl)methyl]-1,3-thiazol-4-yl]methanol?
The canonical SMILES for [2-[(1-methylpyrrolidin-3-yl)methyl]-1,3-thiazol-4-yl]methanol is CN1CCC(Cc2nc(CO)cs2)C1.
What is the InChIKey of [2-[(1-methylpyrrolidin-3-yl)methyl]-1,3-thiazol-4-yl]methanol?
The InChIKey is CTGKNRNZIMVSAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS/c1-12-3-2-8(5-12)4-10-11-9(6-13)7-14-10/h7-8,13H,2-6H2,1H3.
What are the key properties of [2-[(1-methylpyrrolidin-3-yl)methyl]-1,3-thiazol-4-yl]methanol?
[2-[(1-methylpyrrolidin-3-yl)methyl]-1,3-thiazol-4-yl]methanol has a molecular weight of 212.32 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(1-methylpyrrolidin-3-yl)methyl]-1,3-thiazol-4-yl]methanol is sourced from PubChem (CID 115087908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).