N-[3-(2-oxoazepan-1-yl)propyl]-1,3-thiazolidine-4-carboxamide;hydrochloride

C13H24ClN3O2S — CID 119270388

IUPACN-[3-(2-oxoazepan-1-yl)propyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
SMILESCl.O=C(NCCCN1CCCCCC1=O)C1CSCN1
InChIInChI=1S/C13H23N3O2S.ClH/c17-12-5-2-1-3-7-16(12)8-4-6-14-13(18)11-9-19-10-15-11;/h11,15H,1-10H2,(H,14,18);1H
InChIKeyDZIJJONHWSQCCU-UHFFFAOYSA-N
MW321.87 g/mol
LogP0.98
Rot. Bonds5

About N-[3-(2-oxoazepan-1-yl)propyl]-1,3-thiazolidine-4-carboxamide;hydrochloride

N-[3-(2-oxoazepan-1-yl)propyl]-1,3-thiazolidine-4-carboxamide;hydrochloride (PubChem CID 119270388) has the molecular formula C13H24ClN3O2S and a molecular weight of 321.87 g/mol. Its IUPAC name is N-[3-(2-oxoazepan-1-yl)propyl]-1,3-thiazolidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(2-oxoazepan-1-yl)propyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
PubChem CID119270388
Molecular FormulaC13H24ClN3O2S
Molecular Weight321.87 g/mol
Exact Mass321.13
IUPAC NameN-[3-(2-oxoazepan-1-yl)propyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
SMILESCl.O=C(NCCCN1CCCCCC1=O)C1CSCN1
InChIInChI=1S/C13H23N3O2S.ClH/c17-12-5-2-1-3-7-16(12)8-4-6-14-13(18)11-9-19-10-15-11;/h11,15H,1-10H2,(H,14,18);1H
InChIKeyDZIJJONHWSQCCU-UHFFFAOYSA-N
XLogP0.98
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.87
LogP ≤ 50.98
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

N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119262243
N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-2-carboxamide
CID 119262246
N-[3-(2-oxoazepan-1-yl)propyl]piperidine-4-carboxamide
CID 119270399
N-[3-(2-oxopyrrolidin-1-yl)propyl]cyclopentanecarboxamide
CID 17217958
2-chloro-N-[3-(2-oxoazepan-1-yl)propyl]acetamide
CID 54592450
1-amino-N-[3-(2-oxoazepan-1-yl)propyl]cyclopentane-1-carboxamide;hydrochloride
CID 119270408
(2S)-2-amino-4-methyl-N-[3-(2-oxoazepan-1-yl)propyl]pentanamide
CID 119687909
2-(2-oxopiperidin-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 86984731
N-[3-(2-oxopyrrolidin-1-yl)propyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119262248
N-(4-aminobutyl)-1,3-thiazolidine-4-carboxamide
CID 61276051
N-(4-cyclopentylbutyl)-1,3-thiazolidine-4-carboxamide
CID 119327705
1-methoxy-3-[3-(2-oxoazepan-1-yl)propyl]urea
CID 78879528

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-oxoazepan-1-yl)propyl]-1,3-thiazolidine-4-carboxamide;hydrochloride?
The IUPAC name of N-[3-(2-oxoazepan-1-yl)propyl]-1,3-thiazolidine-4-carboxamide;hydrochloride (CID 119270388) is N-[3-(2-oxoazepan-1-yl)propyl]-1,3-thiazolidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-(2-oxoazepan-1-yl)propyl]-1,3-thiazolidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[3-(2-oxoazepan-1-yl)propyl]-1,3-thiazolidine-4-carboxamide;hydrochloride is Cl.O=C(NCCCN1CCCCCC1=O)C1CSCN1.
What is the InChIKey of N-[3-(2-oxoazepan-1-yl)propyl]-1,3-thiazolidine-4-carboxamide;hydrochloride?
The InChIKey is DZIJJONHWSQCCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2S.ClH/c17-12-5-2-1-3-7-16(12)8-4-6-14-13(18)11-9-19-10-15-11;/h11,15H,1-10H2,(H,14,18);1H.
What are the key properties of N-[3-(2-oxoazepan-1-yl)propyl]-1,3-thiazolidine-4-carboxamide;hydrochloride?
N-[3-(2-oxoazepan-1-yl)propyl]-1,3-thiazolidine-4-carboxamide;hydrochloride has a molecular weight of 321.87 g/mol, XLogP of 0.98, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-oxoazepan-1-yl)propyl]-1,3-thiazolidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119270388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).