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

C16H20ClN3S — CID 115969326

IUPAC1-[1-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]pyrrolidin-3-yl]ethanamine
SMILESCC(N)C1CCN(Cc2csc(-c3ccccc3Cl)n2)C1
InChIInChI=1S/C16H20ClN3S/c1-11(18)12-6-7-20(8-12)9-13-10-21-16(19-13)14-4-2-3-5-15(14)17/h2-5,10-12H,6-9,18H2,1H3
InChIKeyQEDAXFIMSYUBNH-UHFFFAOYSA-N
MW321.88 g/mol
LogP3.63
Rot. Bonds4

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

1-[1-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]pyrrolidin-3-yl]ethanamine (PubChem CID 115969326) has the molecular formula C16H20ClN3S and a molecular weight of 321.88 g/mol. Its IUPAC name is 1-[1-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]pyrrolidin-3-yl]ethanamine.

Molecular Properties

Compound Name1-[1-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]pyrrolidin-3-yl]ethanamine
PubChem CID115969326
Molecular FormulaC16H20ClN3S
Molecular Weight321.88 g/mol
Exact Mass321.11
IUPAC Name1-[1-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]pyrrolidin-3-yl]ethanamine
SMILESCC(N)C1CCN(Cc2csc(-c3ccccc3Cl)n2)C1
InChIInChI=1S/C16H20ClN3S/c1-11(18)12-6-7-20(8-12)9-13-10-21-16(19-13)14-4-2-3-5-15(14)17/h2-5,10-12H,6-9,18H2,1H3
InChIKeyQEDAXFIMSYUBNH-UHFFFAOYSA-N
XLogP3.63
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.88
LogP ≤ 53.63
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]ethanol
CID 115966903
1-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]piperidin-4-amine
CID 43556502
2-(2-chlorophenyl)-4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazole
CID 22197700
2-(2-chlorophenyl)-4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazole
CID 22198040
1-[1-[(2,3-dichlorophenyl)methyl]pyrrolidin-3-yl]ethanamine
CID 103975543
4-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]morpholine
CID 6465501
1-[1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]ethanamine
CID 112630112
(1S)-1-[(3S)-1-benzylpyrrolidin-3-yl]ethanamine;dihydrochloride
CID 71741811
1-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]-4-methylpiperidin-4-ol
CID 80703333
1-[1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]ethanamine
CID 83980773
(1R)-1-(2-chlorophenyl)-N-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]ethanamine
CID 9306498
1-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]ethanamine;dihydrochloride
CID 119920780

Frequently Asked Questions

What is the IUPAC name of 1-[1-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]pyrrolidin-3-yl]ethanamine?
The IUPAC name of 1-[1-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]pyrrolidin-3-yl]ethanamine (CID 115969326) is 1-[1-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]pyrrolidin-3-yl]ethanamine.
What is the SMILES notation for 1-[1-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]pyrrolidin-3-yl]ethanamine?
The canonical SMILES for 1-[1-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]pyrrolidin-3-yl]ethanamine is CC(N)C1CCN(Cc2csc(-c3ccccc3Cl)n2)C1.
What is the InChIKey of 1-[1-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]pyrrolidin-3-yl]ethanamine?
The InChIKey is QEDAXFIMSYUBNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3S/c1-11(18)12-6-7-20(8-12)9-13-10-21-16(19-13)14-4-2-3-5-15(14)17/h2-5,10-12H,6-9,18H2,1H3.
What are the key properties of 1-[1-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]pyrrolidin-3-yl]ethanamine?
1-[1-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]pyrrolidin-3-yl]ethanamine has a molecular weight of 321.88 g/mol, XLogP of 3.63, 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]ethanamine is sourced from PubChem (CID 115969326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).