1-[1-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]pyrrolidin-3-yl]ethanol

C16H19ClN2OS — CID 115966903

IUPAC1-[1-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]pyrrolidin-3-yl]ethanol
SMILESCC(O)C1CCN(Cc2csc(-c3ccccc3Cl)n2)C1
InChIInChI=1S/C16H19ClN2OS/c1-11(20)12-6-7-19(8-12)9-13-10-21-16(18-13)14-4-2-3-5-15(14)17/h2-5,10-12,20H,6-9H2,1H3
InChIKeyGVFOEVWMXIEBSK-UHFFFAOYSA-N
MW322.86 g/mol
LogP3.67
Rot. Bonds4

About 1-[1-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]pyrrolidin-3-yl]ethanol

1-[1-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]pyrrolidin-3-yl]ethanol (PubChem CID 115966903) has the molecular formula C16H19ClN2OS and a molecular weight of 322.86 g/mol. Its IUPAC name is 1-[1-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name1-[1-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]pyrrolidin-3-yl]ethanol
PubChem CID115966903
Molecular FormulaC16H19ClN2OS
Molecular Weight322.86 g/mol
Exact Mass322.09
IUPAC Name1-[1-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]pyrrolidin-3-yl]ethanol
SMILESCC(O)C1CCN(Cc2csc(-c3ccccc3Cl)n2)C1
InChIInChI=1S/C16H19ClN2OS/c1-11(20)12-6-7-19(8-12)9-13-10-21-16(18-13)14-4-2-3-5-15(14)17/h2-5,10-12,20H,6-9H2,1H3
InChIKeyGVFOEVWMXIEBSK-UHFFFAOYSA-N
XLogP3.67
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.86
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]pyrrolidin-3-yl]ethanamine
CID 115969326
2-(2-chlorophenyl)-4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazole
CID 22197700
1-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]piperidin-4-amine
CID 43556502
1-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-yl]ethanol
CID 112628440
2-(2-chlorophenyl)-4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazole
CID 22198040
1-[1-[(2-butyl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-yl]ethanol
CID 110020463
1-[1-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]ethanol
CID 111113942
1-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]-4-methylpiperidin-4-ol
CID 80703333
(1R)-1-[(3S)-1-benzylpyrrolidin-3-yl]ethanol
CID 96766487
4-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]morpholine
CID 6465501
ethyl 4-[[3-(1-hydroxyethyl)pyrrolidin-1-yl]methyl]-1,3-thiazole-2-carboxylate
CID 112628264
1-[1-[[2-[[3-(1-hydroxyethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]pyrrolidin-3-yl]ethanol
CID 110019767

Frequently Asked Questions

What is the IUPAC name of 1-[1-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]pyrrolidin-3-yl]ethanol?
The IUPAC name of 1-[1-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]pyrrolidin-3-yl]ethanol (CID 115966903) is 1-[1-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 1-[1-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]pyrrolidin-3-yl]ethanol?
The canonical SMILES for 1-[1-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]pyrrolidin-3-yl]ethanol is CC(O)C1CCN(Cc2csc(-c3ccccc3Cl)n2)C1.
What is the InChIKey of 1-[1-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]pyrrolidin-3-yl]ethanol?
The InChIKey is GVFOEVWMXIEBSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2OS/c1-11(20)12-6-7-19(8-12)9-13-10-21-16(18-13)14-4-2-3-5-15(14)17/h2-5,10-12,20H,6-9H2,1H3.
What are the key properties of 1-[1-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]pyrrolidin-3-yl]ethanol?
1-[1-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]pyrrolidin-3-yl]ethanol has a molecular weight of 322.86 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 115966903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).