3-(4-chlorobenzoyl)-N-[2-(ethylamino)ethyl]-1,3-thiazolidine-4-carboxamide;hydrochloride

C15H21Cl2N3O2S — CID 119507547

IUPAC3-(4-chlorobenzoyl)-N-[2-(ethylamino)ethyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
SMILESCCNCCNC(=O)C1CSCN1C(=O)c1ccc(Cl)cc1.Cl
InChIInChI=1S/C15H20ClN3O2S.ClH/c1-2-17-7-8-18-14(20)13-9-22-10-19(13)15(21)11-3-5-12(16)6-4-11;/h3-6,13,17H,2,7-10H2,1H3,(H,18,20);1H
InChIKeyIMJRXSHBDVSDEX-UHFFFAOYSA-N
MW378.33 g/mol
LogP2.00
Rot. Bonds6

About 3-(4-chlorobenzoyl)-N-[2-(ethylamino)ethyl]-1,3-thiazolidine-4-carboxamide;hydrochloride

3-(4-chlorobenzoyl)-N-[2-(ethylamino)ethyl]-1,3-thiazolidine-4-carboxamide;hydrochloride (PubChem CID 119507547) has the molecular formula C15H21Cl2N3O2S and a molecular weight of 378.33 g/mol. Its IUPAC name is 3-(4-chlorobenzoyl)-N-[2-(ethylamino)ethyl]-1,3-thiazolidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-(4-chlorobenzoyl)-N-[2-(ethylamino)ethyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
PubChem CID119507547
Molecular FormulaC15H21Cl2N3O2S
Molecular Weight378.33 g/mol
Exact Mass377.07
IUPAC Name3-(4-chlorobenzoyl)-N-[2-(ethylamino)ethyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
SMILESCCNCCNC(=O)C1CSCN1C(=O)c1ccc(Cl)cc1.Cl
InChIInChI=1S/C15H20ClN3O2S.ClH/c1-2-17-7-8-18-14(20)13-9-22-10-19(13)15(21)11-3-5-12(16)6-4-11;/h3-6,13,17H,2,7-10H2,1H3,(H,18,20);1H
InChIKeyIMJRXSHBDVSDEX-UHFFFAOYSA-N
XLogP2.00
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.33
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(4-tert-butylbenzoyl)-N-[2-(ethylamino)ethyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119506268
N-(3-aminopropyl)-3-(4-chlorobenzoyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119407342
N-(2-amino-2-ethylbutyl)-3-(4-chlorobenzoyl)-1,3-thiazolidine-4-carboxamide
CID 119642205
methyl 2-[[(4R)-3-(4-chlorobenzoyl)-1,3-thiazolidine-4-carbonyl]amino]acetate
CID 95297675
3-(4-chlorobenzoyl)-N-(pyridin-2-ylmethyl)-1,3-thiazolidine-4-carboxamide
CID 42744790
3-(4-tert-butylbenzoyl)-N-(2-methoxyethyl)-1,3-thiazolidine-4-carboxamide
CID 42745323
2-[[3-(4-chlorobenzoyl)-1,3-thiazolidine-4-carbonyl]-methylamino]acetic acid
CID 119172118
methyl 4-[2-[(3-benzoyl-1,3-thiazolidine-4-carbonyl)amino]ethyl]benzoate
CID 55515178
(4S)-N-(3-methylbutyl)-3-[4-(pyrrolidin-1-ylmethyl)benzoyl]-1,3-thiazolidine-4-carboxamide
CID 97315657
3-(4-chlorobenzoyl)-N-(1,4,8-trioxaspiro[4.5]decan-3-ylmethyl)-1,3-thiazolidine-4-carboxamide
CID 75446900
(4S)-3-(4-chlorobenzoyl)-N-[[(3R)-1,4,8-trioxaspiro[4.5]decan-3-yl]methyl]-1,3-thiazolidine-4-carboxamide
CID 97338589
4-[4-(tert-butylcarbamoyl)-1,3-thiazolidine-3-carbonyl]benzoic acid
CID 119183811

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorobenzoyl)-N-[2-(ethylamino)ethyl]-1,3-thiazolidine-4-carboxamide;hydrochloride?
The IUPAC name of 3-(4-chlorobenzoyl)-N-[2-(ethylamino)ethyl]-1,3-thiazolidine-4-carboxamide;hydrochloride (CID 119507547) is 3-(4-chlorobenzoyl)-N-[2-(ethylamino)ethyl]-1,3-thiazolidine-4-carboxamide;hydrochloride.
What is the SMILES notation for 3-(4-chlorobenzoyl)-N-[2-(ethylamino)ethyl]-1,3-thiazolidine-4-carboxamide;hydrochloride?
The canonical SMILES for 3-(4-chlorobenzoyl)-N-[2-(ethylamino)ethyl]-1,3-thiazolidine-4-carboxamide;hydrochloride is CCNCCNC(=O)C1CSCN1C(=O)c1ccc(Cl)cc1.Cl.
What is the InChIKey of 3-(4-chlorobenzoyl)-N-[2-(ethylamino)ethyl]-1,3-thiazolidine-4-carboxamide;hydrochloride?
The InChIKey is IMJRXSHBDVSDEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O2S.ClH/c1-2-17-7-8-18-14(20)13-9-22-10-19(13)15(21)11-3-5-12(16)6-4-11;/h3-6,13,17H,2,7-10H2,1H3,(H,18,20);1H.
What are the key properties of 3-(4-chlorobenzoyl)-N-[2-(ethylamino)ethyl]-1,3-thiazolidine-4-carboxamide;hydrochloride?
3-(4-chlorobenzoyl)-N-[2-(ethylamino)ethyl]-1,3-thiazolidine-4-carboxamide;hydrochloride has a molecular weight of 378.33 g/mol, XLogP of 2.00, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorobenzoyl)-N-[2-(ethylamino)ethyl]-1,3-thiazolidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119507547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).