1-pyrrolidin-2-yl-1-(1,2-thiazol-3-yl)ethanol

C9H14N2OS — CID 131003149

IUPAC1-pyrrolidin-2-yl-1-(1,2-thiazol-3-yl)ethanol
SMILESCC(O)(c1ccsn1)C1CCCN1
InChIInChI=1S/C9H14N2OS/c1-9(12,7-3-2-5-10-7)8-4-6-13-11-8/h4,6-7,10,12H,2-3,5H2,1H3
InChIKeyNCMGNTIBYUBCKC-UHFFFAOYSA-N
MW198.29 g/mol
LogP1.10
Rot. Bonds2

About 1-pyrrolidin-2-yl-1-(1,2-thiazol-3-yl)ethanol

1-pyrrolidin-2-yl-1-(1,2-thiazol-3-yl)ethanol (PubChem CID 131003149) has the molecular formula C9H14N2OS and a molecular weight of 198.29 g/mol. Its IUPAC name is 1-pyrrolidin-2-yl-1-(1,2-thiazol-3-yl)ethanol.

Molecular Properties

Compound Name1-pyrrolidin-2-yl-1-(1,2-thiazol-3-yl)ethanol
PubChem CID131003149
Molecular FormulaC9H14N2OS
Molecular Weight198.29 g/mol
Exact Mass198.08
IUPAC Name1-pyrrolidin-2-yl-1-(1,2-thiazol-3-yl)ethanol
SMILESCC(O)(c1ccsn1)C1CCCN1
InChIInChI=1S/C9H14N2OS/c1-9(12,7-3-2-5-10-7)8-4-6-13-11-8/h4,6-7,10,12H,2-3,5H2,1H3
InChIKeyNCMGNTIBYUBCKC-UHFFFAOYSA-N
XLogP1.10
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 ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-Piperidin-4-yl-1-(1,2-thiazol-3-yl)ethanol
CID 127016493
1-Methyl-3-(1,2-thiazol-3-yl)pyrrolidin-3-ol
CID 130625922
3-Amino-2-(1,2-thiazol-3-yl)butan-2-ol
CID 130688438
Pyrrolidin-2-yl(1,2-thiazol-3-yl)methanol
CID 130725448
1-Amino-2-(1,2-thiazol-3-yl)propan-2-ol
CID 130752218
1-(1,2-Thiazol-3-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol
CID 130841193
2-Methyl-3-(1,2-thiazol-3-yl)piperidin-3-ol
CID 130986972
1-Piperidin-3-yl-1-(1,2-thiazol-3-yl)ethanol
CID 131008348
1-Amino-3-methyl-2-(1,2-thiazol-3-yl)butan-2-ol
CID 131048608
1-Propyl-3-(1,2-thiazol-3-yl)pyrrolidin-3-ol
CID 131101386
3-Amino-1-(1,2-thiazol-3-yl)cyclohexan-1-ol
CID 131118845
4-(Methylamino)-1-(1,2-thiazol-3-yl)cyclohexan-1-ol
CID 131214111

Frequently Asked Questions

What is the IUPAC name of 1-pyrrolidin-2-yl-1-(1,2-thiazol-3-yl)ethanol?
The IUPAC name of 1-pyrrolidin-2-yl-1-(1,2-thiazol-3-yl)ethanol (CID 131003149) is 1-pyrrolidin-2-yl-1-(1,2-thiazol-3-yl)ethanol.
What is the SMILES notation for 1-pyrrolidin-2-yl-1-(1,2-thiazol-3-yl)ethanol?
The canonical SMILES for 1-pyrrolidin-2-yl-1-(1,2-thiazol-3-yl)ethanol is CC(O)(c1ccsn1)C1CCCN1.
What is the InChIKey of 1-pyrrolidin-2-yl-1-(1,2-thiazol-3-yl)ethanol?
The InChIKey is NCMGNTIBYUBCKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2OS/c1-9(12,7-3-2-5-10-7)8-4-6-13-11-8/h4,6-7,10,12H,2-3,5H2,1H3.
What are the key properties of 1-pyrrolidin-2-yl-1-(1,2-thiazol-3-yl)ethanol?
1-pyrrolidin-2-yl-1-(1,2-thiazol-3-yl)ethanol has a molecular weight of 198.29 g/mol, XLogP of 1.10, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrrolidin-2-yl-1-(1,2-thiazol-3-yl)ethanol is sourced from PubChem (CID 131003149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).