1-[2-[(1-ethylpyrrolidin-2-yl)methyl]-1,3-thiazol-4-yl]propan-2-ol

C13H22N2OS — CID 115088635

IUPAC1-[2-[(1-ethylpyrrolidin-2-yl)methyl]-1,3-thiazol-4-yl]propan-2-ol
SMILESCCN1CCCC1Cc1nc(CC(C)O)cs1
InChIInChI=1S/C13H22N2OS/c1-3-15-6-4-5-12(15)8-13-14-11(9-17-13)7-10(2)16/h9-10,12,16H,3-8H2,1-2H3
InChIKeyMRAXIVFORRNSMB-UHFFFAOYSA-N
MW254.40 g/mol
LogP2.09
Rot. Bonds5

About 1-[2-[(1-ethylpyrrolidin-2-yl)methyl]-1,3-thiazol-4-yl]propan-2-ol

1-[2-[(1-ethylpyrrolidin-2-yl)methyl]-1,3-thiazol-4-yl]propan-2-ol (PubChem CID 115088635) has the molecular formula C13H22N2OS and a molecular weight of 254.40 g/mol. Its IUPAC name is 1-[2-[(1-ethylpyrrolidin-2-yl)methyl]-1,3-thiazol-4-yl]propan-2-ol.

Molecular Properties

Compound Name1-[2-[(1-ethylpyrrolidin-2-yl)methyl]-1,3-thiazol-4-yl]propan-2-ol
PubChem CID115088635
Molecular FormulaC13H22N2OS
Molecular Weight254.40 g/mol
Exact Mass254.15
IUPAC Name1-[2-[(1-ethylpyrrolidin-2-yl)methyl]-1,3-thiazol-4-yl]propan-2-ol
SMILESCCN1CCCC1Cc1nc(CC(C)O)cs1
InChIInChI=1S/C13H22N2OS/c1-3-15-6-4-5-12(15)8-13-14-11(9-17-13)7-10(2)16/h9-10,12,16H,3-8H2,1-2H3
InChIKeyMRAXIVFORRNSMB-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-ethylpiperidin-2-yl)methyl]-1,3-thiazol-4-yl]propan-2-one
CID 115088795
2-[2-[(1-ethylpiperidin-2-yl)methyl]-1,3-thiazol-4-yl]propan-1-ol
CID 115088809
2-[2-[(1-ethylpiperidin-2-yl)methyl]-1,3-thiazol-4-yl]propan-1-amine
CID 115088807
2-[2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,3-thiazol-4-yl]ethanol
CID 115088634
1-[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]azepan-2-yl]propan-2-ol
CID 114338946
1-[2-[(1,1-dioxothian-3-yl)methyl]-1,3-thiazol-4-yl]propan-2-ol
CID 115088925
1-[2-[(1-ethylpiperidin-4-yl)methyl]-1,3-thiazol-4-yl]propan-2-amine
CID 115088171
1-(1-ethylpyrrolidin-2-yl)-N-methyl-N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]methanamine
CID 79313368
[2-[(1-methylpiperidin-2-yl)methyl]-1,3-thiazol-4-yl]methanamine
CID 115088816
1-[2-[(1-ethylpyrrolidin-2-yl)methyl]-1,3-thiazol-5-yl]ethanone
CID 115090768
1-(1-ethylpiperidin-2-yl)propan-2-ol
CID 21153789
1-(1-ethylpyrrolidin-2-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine
CID 78992422

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(1-ethylpyrrolidin-2-yl)methyl]-1,3-thiazol-4-yl]propan-2-ol?
The IUPAC name of 1-[2-[(1-ethylpyrrolidin-2-yl)methyl]-1,3-thiazol-4-yl]propan-2-ol (CID 115088635) is 1-[2-[(1-ethylpyrrolidin-2-yl)methyl]-1,3-thiazol-4-yl]propan-2-ol.
What is the SMILES notation for 1-[2-[(1-ethylpyrrolidin-2-yl)methyl]-1,3-thiazol-4-yl]propan-2-ol?
The canonical SMILES for 1-[2-[(1-ethylpyrrolidin-2-yl)methyl]-1,3-thiazol-4-yl]propan-2-ol is CCN1CCCC1Cc1nc(CC(C)O)cs1.
What is the InChIKey of 1-[2-[(1-ethylpyrrolidin-2-yl)methyl]-1,3-thiazol-4-yl]propan-2-ol?
The InChIKey is MRAXIVFORRNSMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2OS/c1-3-15-6-4-5-12(15)8-13-14-11(9-17-13)7-10(2)16/h9-10,12,16H,3-8H2,1-2H3.
What are the key properties of 1-[2-[(1-ethylpyrrolidin-2-yl)methyl]-1,3-thiazol-4-yl]propan-2-ol?
1-[2-[(1-ethylpyrrolidin-2-yl)methyl]-1,3-thiazol-4-yl]propan-2-ol 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 1-[2-[(1-ethylpyrrolidin-2-yl)methyl]-1,3-thiazol-4-yl]propan-2-ol is sourced from PubChem (CID 115088635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).