2-[2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,3-thiazol-4-yl]ethanol

C13H22N2OS — CID 115088634

IUPAC2-[2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,3-thiazol-4-yl]ethanol
SMILESCC(C)N1CCCC1Cc1nc(CCO)cs1
InChIInChI=1S/C13H22N2OS/c1-10(2)15-6-3-4-12(15)8-13-14-11(5-7-16)9-17-13/h9-10,12,16H,3-8H2,1-2H3
InChIKeyBPKVQBBAWWRTEE-UHFFFAOYSA-N
MW254.40 g/mol
LogP2.09
Rot. Bonds5

About 2-[2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,3-thiazol-4-yl]ethanol

2-[2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,3-thiazol-4-yl]ethanol (PubChem CID 115088634) has the molecular formula C13H22N2OS and a molecular weight of 254.40 g/mol. Its IUPAC name is 2-[2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,3-thiazol-4-yl]ethanol.

Molecular Properties

Compound Name2-[2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,3-thiazol-4-yl]ethanol
PubChem CID115088634
Molecular FormulaC13H22N2OS
Molecular Weight254.40 g/mol
Exact Mass254.15
IUPAC Name2-[2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,3-thiazol-4-yl]ethanol
SMILESCC(C)N1CCCC1Cc1nc(CCO)cs1
InChIInChI=1S/C13H22N2OS/c1-10(2)15-6-3-4-12(15)8-13-14-11(5-7-16)9-17-13/h9-10,12,16H,3-8H2,1-2H3
InChIKeyBPKVQBBAWWRTEE-UHFFFAOYSA-N
XLogP2.09
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,3-thiazol-4-yl]ethanone
CID 115088622
2-[2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,3-thiazol-5-yl]ethanol
CID 115090781
2-[2-[(1-propan-2-ylpiperidin-3-yl)methyl]-1,3-thiazol-4-yl]ethanol
CID 115088933
N-methyl-1-[2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,3-thiazol-4-yl]ethanamine
CID 115088688
1-[2-[(1-ethylpyrrolidin-2-yl)methyl]-1,3-thiazol-4-yl]propan-2-ol
CID 115088635
[2-[(1-methylpiperidin-2-yl)methyl]-1,3-thiazol-4-yl]methanamine
CID 115088816
[2-[(1-methylpiperidin-3-yl)methyl]-1,3-thiazol-4-yl]methanol
CID 115088901
2-(2-ethyl-1,3-thiazol-4-yl)ethanol
CID 55264368
N-methyl-1-[2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,3-thiazol-5-yl]propan-2-amine
CID 115090863
3-[2-(1-propan-2-ylpyrrolidin-2-yl)-1,3-thiazol-4-yl]propan-1-amine
CID 115088447
[2-[(1-methylpyrrolidin-3-yl)methyl]-1,3-thiazol-4-yl]methanol
CID 115087908
1-[2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,3-oxazol-4-yl]ethanamine
CID 115083115

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,3-thiazol-4-yl]ethanol?
The IUPAC name of 2-[2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,3-thiazol-4-yl]ethanol (CID 115088634) is 2-[2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,3-thiazol-4-yl]ethanol.
What is the SMILES notation for 2-[2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,3-thiazol-4-yl]ethanol?
The canonical SMILES for 2-[2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,3-thiazol-4-yl]ethanol is CC(C)N1CCCC1Cc1nc(CCO)cs1.
What is the InChIKey of 2-[2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,3-thiazol-4-yl]ethanol?
The InChIKey is BPKVQBBAWWRTEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2OS/c1-10(2)15-6-3-4-12(15)8-13-14-11(5-7-16)9-17-13/h9-10,12,16H,3-8H2,1-2H3.
What are the key properties of 2-[2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,3-thiazol-4-yl]ethanol?
2-[2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,3-thiazol-4-yl]ethanol has a molecular weight of 254.40 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,3-thiazol-4-yl]ethanol is sourced from PubChem (CID 115088634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).