1-pyrrolidin-3-yl-1-(1,3-thiazol-4-yl)ethanol

C9H14N2OS — CID 130871256

IUPAC1-pyrrolidin-3-yl-1-(1,3-thiazol-4-yl)ethanol
SMILESCC(O)(c1cscn1)C1CCNC1
InChIInChI=1S/C9H14N2OS/c1-9(12,7-2-3-10-4-7)8-5-13-6-11-8/h5-7,10,12H,2-4H2,1H3
InChIKeySHAPUWDWAGQGJC-UHFFFAOYSA-N
MW198.29 g/mol
LogP0.96
Rot. Bonds2

About 1-pyrrolidin-3-yl-1-(1,3-thiazol-4-yl)ethanol

1-pyrrolidin-3-yl-1-(1,3-thiazol-4-yl)ethanol (PubChem CID 130871256) has the molecular formula C9H14N2OS and a molecular weight of 198.29 g/mol. Its IUPAC name is 1-pyrrolidin-3-yl-1-(1,3-thiazol-4-yl)ethanol.

Molecular Properties

Compound Name1-pyrrolidin-3-yl-1-(1,3-thiazol-4-yl)ethanol
PubChem CID130871256
Molecular FormulaC9H14N2OS
Molecular Weight198.29 g/mol
Exact Mass198.08
IUPAC Name1-pyrrolidin-3-yl-1-(1,3-thiazol-4-yl)ethanol
SMILESCC(O)(c1cscn1)C1CCNC1
InChIInChI=1S/C9H14N2OS/c1-9(12,7-2-3-10-4-7)8-5-13-6-11-8/h5-7,10,12H,2-4H2,1H3
InChIKeySHAPUWDWAGQGJC-UHFFFAOYSA-N
XLogP0.96
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-methylimidazol-2-yl)-1-pyrrolidin-3-ylethanol
CID 130787693
2-[(3S)-pyrrolidin-3-yl]propan-2-ol;sulfane
CID 160675736
N,2-dimethyl-2-piperidin-3-yl-N-(1,3-thiazol-4-ylmethyl)propan-1-amine
CID 83198928
1-(4-methyl-1,2,4-triazol-3-yl)-1-pyrrolidin-3-ylethanol
CID 127016465
1-(2-methylphenyl)-1-pyrrolidin-3-ylethanol
CID 105457980
3-(1-hydroxy-1-pyrrolidin-3-ylethyl)benzoic acid
CID 115040778
pyrrolidin-3-yl(1,3-thiazol-4-yl)methanone
CID 130670441
2-pyrrolidin-3-ylbutan-2-ol
CID 105428542
3-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperidin-4-ol
CID 114451769
1-piperidin-3-yl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanol
CID 112744380
2-(1-hydroxy-1-pyrrolidin-3-ylethyl)benzaldehyde
CID 115031453
(1S)-1-phenyl-1-[(3R)-pyrrolidin-3-yl]propan-1-ol
CID 124705714

Frequently Asked Questions

What is the IUPAC name of 1-pyrrolidin-3-yl-1-(1,3-thiazol-4-yl)ethanol?
The IUPAC name of 1-pyrrolidin-3-yl-1-(1,3-thiazol-4-yl)ethanol (CID 130871256) is 1-pyrrolidin-3-yl-1-(1,3-thiazol-4-yl)ethanol.
What is the SMILES notation for 1-pyrrolidin-3-yl-1-(1,3-thiazol-4-yl)ethanol?
The canonical SMILES for 1-pyrrolidin-3-yl-1-(1,3-thiazol-4-yl)ethanol is CC(O)(c1cscn1)C1CCNC1.
What is the InChIKey of 1-pyrrolidin-3-yl-1-(1,3-thiazol-4-yl)ethanol?
The InChIKey is SHAPUWDWAGQGJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2OS/c1-9(12,7-2-3-10-4-7)8-5-13-6-11-8/h5-7,10,12H,2-4H2,1H3.
What are the key properties of 1-pyrrolidin-3-yl-1-(1,3-thiazol-4-yl)ethanol?
1-pyrrolidin-3-yl-1-(1,3-thiazol-4-yl)ethanol has a molecular weight of 198.29 g/mol, XLogP of 0.96, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrrolidin-3-yl-1-(1,3-thiazol-4-yl)ethanol is sourced from PubChem (CID 130871256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).