N-(2-amino-1-naphthalen-2-ylethyl)-3-(cyclopentanecarbonyl)-1,3-thiazolidine-4-carboxamide;hydrochloride

C22H28ClN3O2S — CID 120597776

IUPACN-(2-amino-1-naphthalen-2-ylethyl)-3-(cyclopentanecarbonyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
SMILESCl.NCC(NC(=O)C1CSCN1C(=O)C1CCCC1)c1ccc2ccccc2c1
InChIInChI=1S/C22H27N3O2S.ClH/c23-12-19(18-10-9-15-5-1-4-8-17(15)11-18)24-21(26)20-13-28-14-25(20)22(27)16-6-2-3-7-16;/h1,4-5,8-11,16,19-20H,2-3,6-7,12-14,23H2,(H,24,26);1H
InChIKeySAFRTIJXNSRPLQ-UHFFFAOYSA-N
MW434.01 g/mol
LogP3.47
Rot. Bonds5

About N-(2-amino-1-naphthalen-2-ylethyl)-3-(cyclopentanecarbonyl)-1,3-thiazolidine-4-carboxamide;hydrochloride

N-(2-amino-1-naphthalen-2-ylethyl)-3-(cyclopentanecarbonyl)-1,3-thiazolidine-4-carboxamide;hydrochloride (PubChem CID 120597776) has the molecular formula C22H28ClN3O2S and a molecular weight of 434.01 g/mol. Its IUPAC name is N-(2-amino-1-naphthalen-2-ylethyl)-3-(cyclopentanecarbonyl)-1,3-thiazolidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-1-naphthalen-2-ylethyl)-3-(cyclopentanecarbonyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
PubChem CID120597776
Molecular FormulaC22H28ClN3O2S
Molecular Weight434.01 g/mol
Exact Mass433.16
IUPAC NameN-(2-amino-1-naphthalen-2-ylethyl)-3-(cyclopentanecarbonyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
SMILESCl.NCC(NC(=O)C1CSCN1C(=O)C1CCCC1)c1ccc2ccccc2c1
InChIInChI=1S/C22H27N3O2S.ClH/c23-12-19(18-10-9-15-5-1-4-8-17(15)11-18)24-21(26)20-13-28-14-25(20)22(27)16-6-2-3-7-16;/h1,4-5,8-11,16,19-20H,2-3,6-7,12-14,23H2,(H,24,26);1H
InChIKeySAFRTIJXNSRPLQ-UHFFFAOYSA-N
XLogP3.47
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.01
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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N-(3-aminopropyl)-3-(cyclopentanecarbonyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-naphthalen-2-ylethyl)-3-(cyclopentanecarbonyl)-1,3-thiazolidine-4-carboxamide;hydrochloride?
The IUPAC name of N-(2-amino-1-naphthalen-2-ylethyl)-3-(cyclopentanecarbonyl)-1,3-thiazolidine-4-carboxamide;hydrochloride (CID 120597776) is N-(2-amino-1-naphthalen-2-ylethyl)-3-(cyclopentanecarbonyl)-1,3-thiazolidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-amino-1-naphthalen-2-ylethyl)-3-(cyclopentanecarbonyl)-1,3-thiazolidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-(2-amino-1-naphthalen-2-ylethyl)-3-(cyclopentanecarbonyl)-1,3-thiazolidine-4-carboxamide;hydrochloride is Cl.NCC(NC(=O)C1CSCN1C(=O)C1CCCC1)c1ccc2ccccc2c1.
What is the InChIKey of N-(2-amino-1-naphthalen-2-ylethyl)-3-(cyclopentanecarbonyl)-1,3-thiazolidine-4-carboxamide;hydrochloride?
The InChIKey is SAFRTIJXNSRPLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2S.ClH/c23-12-19(18-10-9-15-5-1-4-8-17(15)11-18)24-21(26)20-13-28-14-25(20)22(27)16-6-2-3-7-16;/h1,4-5,8-11,16,19-20H,2-3,6-7,12-14,23H2,(H,24,26);1H.
What are the key properties of N-(2-amino-1-naphthalen-2-ylethyl)-3-(cyclopentanecarbonyl)-1,3-thiazolidine-4-carboxamide;hydrochloride?
N-(2-amino-1-naphthalen-2-ylethyl)-3-(cyclopentanecarbonyl)-1,3-thiazolidine-4-carboxamide;hydrochloride has a molecular weight of 434.01 g/mol, XLogP of 3.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-naphthalen-2-ylethyl)-3-(cyclopentanecarbonyl)-1,3-thiazolidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120597776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).