N-[2-(3-methyl-2-oxoquinolin-1-yl)ethyl]-1,3-thiazolidine-4-carboxamide

C16H19N3O2S — CID 110741002

IUPACN-[2-(3-methyl-2-oxoquinolin-1-yl)ethyl]-1,3-thiazolidine-4-carboxamide
SMILESCc1cc2ccccc2n(CCNC(=O)C2CSCN2)c1=O
InChIInChI=1S/C16H19N3O2S/c1-11-8-12-4-2-3-5-14(12)19(16(11)21)7-6-17-15(20)13-9-22-10-18-13/h2-5,8,13,18H,6-7,9-10H2,1H3,(H,17,20)
InChIKeyUJOYNVHCNKVBAI-UHFFFAOYSA-N
MW317.41 g/mol
LogP1.09
Rot. Bonds4

About N-[2-(3-methyl-2-oxoquinolin-1-yl)ethyl]-1,3-thiazolidine-4-carboxamide

N-[2-(3-methyl-2-oxoquinolin-1-yl)ethyl]-1,3-thiazolidine-4-carboxamide (PubChem CID 110741002) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is N-[2-(3-methyl-2-oxoquinolin-1-yl)ethyl]-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(3-methyl-2-oxoquinolin-1-yl)ethyl]-1,3-thiazolidine-4-carboxamide
PubChem CID110741002
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC NameN-[2-(3-methyl-2-oxoquinolin-1-yl)ethyl]-1,3-thiazolidine-4-carboxamide
SMILESCc1cc2ccccc2n(CCNC(=O)C2CSCN2)c1=O
InChIInChI=1S/C16H19N3O2S/c1-11-8-12-4-2-3-5-14(12)19(16(11)21)7-6-17-15(20)13-9-22-10-18-13/h2-5,8,13,18H,6-7,9-10H2,1H3,(H,17,20)
InChIKeyUJOYNVHCNKVBAI-UHFFFAOYSA-N
XLogP1.09
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3-methyl-2-oxoquinolin-1-yl)ethyl]-5-oxopyrrolidine-2-carboxamide
CID 110741001
N-[2-(2-methylbenzimidazol-1-yl)ethyl]-1,3-thiazolidine-4-carboxamide
CID 61274604
N-[2-(1-methylbenzimidazol-2-yl)ethyl]-1,3-thiazolidine-4-carboxamide
CID 110741853
N-(2-naphthalen-1-ylethyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119288849
N-[2-(2,6-dimethylphenoxy)ethyl]-1,3-thiazolidine-4-carboxamide
CID 119295663
N-[2-(2-hydroxyphenyl)ethyl]-1,3-thiazolidine-4-carboxamide
CID 110672368
N-[2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)ethyl]-1,3-thiazolidine-4-carboxamide
CID 110796288
N-[2-(1-benzofuran-2-yl)ethyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119332483
N-[2-(2-methylindol-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 45172641
2-(3-fluorophenyl)-N-[2-(3-methyl-2-oxoquinolin-1-yl)ethyl]acetamide
CID 110707094
N-[2-(2-methylindol-1-yl)ethyl]-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride
CID 154911026
N-benzyl-1,3-thiazolidine-4-carboxamide
CID 24693076

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methyl-2-oxoquinolin-1-yl)ethyl]-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-[2-(3-methyl-2-oxoquinolin-1-yl)ethyl]-1,3-thiazolidine-4-carboxamide (CID 110741002) is N-[2-(3-methyl-2-oxoquinolin-1-yl)ethyl]-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-[2-(3-methyl-2-oxoquinolin-1-yl)ethyl]-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-[2-(3-methyl-2-oxoquinolin-1-yl)ethyl]-1,3-thiazolidine-4-carboxamide is Cc1cc2ccccc2n(CCNC(=O)C2CSCN2)c1=O.
What is the InChIKey of N-[2-(3-methyl-2-oxoquinolin-1-yl)ethyl]-1,3-thiazolidine-4-carboxamide?
The InChIKey is UJOYNVHCNKVBAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S/c1-11-8-12-4-2-3-5-14(12)19(16(11)21)7-6-17-15(20)13-9-22-10-18-13/h2-5,8,13,18H,6-7,9-10H2,1H3,(H,17,20).
What are the key properties of N-[2-(3-methyl-2-oxoquinolin-1-yl)ethyl]-1,3-thiazolidine-4-carboxamide?
N-[2-(3-methyl-2-oxoquinolin-1-yl)ethyl]-1,3-thiazolidine-4-carboxamide has a molecular weight of 317.41 g/mol, XLogP of 1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methyl-2-oxoquinolin-1-yl)ethyl]-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 110741002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).