[3-(aminomethyl)pyrrolidin-1-yl]-[3-(4-chlorobenzoyl)-1,3-thiazolidin-4-yl]methanone

C16H20ClN3O2S — CID 119485673

IUPAC[3-(aminomethyl)pyrrolidin-1-yl]-[3-(4-chlorobenzoyl)-1,3-thiazolidin-4-yl]methanone
SMILESNCC1CCN(C(=O)C2CSCN2C(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C16H20ClN3O2S/c17-13-3-1-12(2-4-13)15(21)20-10-23-9-14(20)16(22)19-6-5-11(7-18)8-19/h1-4,11,14H,5-10,18H2
InChIKeyVSLCOVKAELECAO-UHFFFAOYSA-N
MW353.88 g/mol
LogP1.66
Rot. Bonds3

About [3-(aminomethyl)pyrrolidin-1-yl]-[3-(4-chlorobenzoyl)-1,3-thiazolidin-4-yl]methanone

[3-(aminomethyl)pyrrolidin-1-yl]-[3-(4-chlorobenzoyl)-1,3-thiazolidin-4-yl]methanone (PubChem CID 119485673) has the molecular formula C16H20ClN3O2S and a molecular weight of 353.88 g/mol. Its IUPAC name is [3-(aminomethyl)pyrrolidin-1-yl]-[3-(4-chlorobenzoyl)-1,3-thiazolidin-4-yl]methanone.

Molecular Properties

Compound Name[3-(aminomethyl)pyrrolidin-1-yl]-[3-(4-chlorobenzoyl)-1,3-thiazolidin-4-yl]methanone
PubChem CID119485673
Molecular FormulaC16H20ClN3O2S
Molecular Weight353.88 g/mol
Exact Mass353.10
IUPAC Name[3-(aminomethyl)pyrrolidin-1-yl]-[3-(4-chlorobenzoyl)-1,3-thiazolidin-4-yl]methanone
SMILESNCC1CCN(C(=O)C2CSCN2C(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C16H20ClN3O2S/c17-13-3-1-12(2-4-13)15(21)20-10-23-9-14(20)16(22)19-6-5-11(7-18)8-19/h1-4,11,14H,5-10,18H2
InChIKeyVSLCOVKAELECAO-UHFFFAOYSA-N
XLogP1.66
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.88
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [3-(aminomethyl)pyrrolidin-1-yl]-[3-(4-chlorobenzoyl)-1,3-thiazolidin-4-yl]methanone with MolForge

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Related Compounds

[3-(4-chlorobenzoyl)-1,3-thiazolidin-4-yl]-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone;hydrochloride
CID 119637633
1-[4-[3-(aminomethyl)pyrrolidine-1-carbonyl]-1,3-thiazolidin-3-yl]-2,2-dimethylpropan-1-one
CID 119485277
(4-aminopiperidin-1-yl)-[3-(4-tert-butylbenzoyl)-1,3-thiazolidin-4-yl]methanone;hydrochloride
CID 119374213
2-[2-[3-(aminomethyl)pyrrolidin-1-yl]-2-oxoethyl]sulfanyl-1-(4-chlorophenyl)ethanone
CID 119484620
4-[4-(pyrrolidine-1-carbonyl)-1,3-thiazolidine-3-carbonyl]benzoic acid
CID 119183486
N-(3-aminopropyl)-3-(4-chlorobenzoyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119407342
[3-(aminomethyl)pyrrolidin-1-yl]-(3-chloro-4-fluorophenyl)methanone
CID 82878692
(3-aminopyrrolidin-1-yl)-(4-chlorophenyl)methanone
CID 59657899
[3-(aminomethyl)pyrrolidin-1-yl]-(4-iodophenyl)methanone
CID 62062850
2-[[3-(4-chlorobenzoyl)-1,3-thiazolidine-4-carbonyl]-methylamino]acetic acid
CID 119172118
[3-(aminomethyl)pyrrolidin-1-yl]-(2,5-dichlorophenyl)methanone
CID 55030511
1-[(3R)-3-(aminomethyl)pyrrolidin-1-yl]-2-(4-chlorophenyl)sulfonylethanone
CID 124612046

Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)pyrrolidin-1-yl]-[3-(4-chlorobenzoyl)-1,3-thiazolidin-4-yl]methanone?
The IUPAC name of [3-(aminomethyl)pyrrolidin-1-yl]-[3-(4-chlorobenzoyl)-1,3-thiazolidin-4-yl]methanone (CID 119485673) is [3-(aminomethyl)pyrrolidin-1-yl]-[3-(4-chlorobenzoyl)-1,3-thiazolidin-4-yl]methanone.
What is the SMILES notation for [3-(aminomethyl)pyrrolidin-1-yl]-[3-(4-chlorobenzoyl)-1,3-thiazolidin-4-yl]methanone?
The canonical SMILES for [3-(aminomethyl)pyrrolidin-1-yl]-[3-(4-chlorobenzoyl)-1,3-thiazolidin-4-yl]methanone is NCC1CCN(C(=O)C2CSCN2C(=O)c2ccc(Cl)cc2)C1.
What is the InChIKey of [3-(aminomethyl)pyrrolidin-1-yl]-[3-(4-chlorobenzoyl)-1,3-thiazolidin-4-yl]methanone?
The InChIKey is VSLCOVKAELECAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O2S/c17-13-3-1-12(2-4-13)15(21)20-10-23-9-14(20)16(22)19-6-5-11(7-18)8-19/h1-4,11,14H,5-10,18H2.
What are the key properties of [3-(aminomethyl)pyrrolidin-1-yl]-[3-(4-chlorobenzoyl)-1,3-thiazolidin-4-yl]methanone?
[3-(aminomethyl)pyrrolidin-1-yl]-[3-(4-chlorobenzoyl)-1,3-thiazolidin-4-yl]methanone has a molecular weight of 353.88 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)pyrrolidin-1-yl]-[3-(4-chlorobenzoyl)-1,3-thiazolidin-4-yl]methanone is sourced from PubChem (CID 119485673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).