N-(3-bromoquinolin-8-yl)-1,3-thiazolidine-4-carboxamide

C13H12BrN3OS — CID 116784376

IUPACN-(3-bromoquinolin-8-yl)-1,3-thiazolidine-4-carboxamide
SMILESO=C(Nc1cccc2cc(Br)cnc12)C1CSCN1
InChIInChI=1S/C13H12BrN3OS/c14-9-4-8-2-1-3-10(12(8)15-5-9)17-13(18)11-6-19-7-16-11/h1-5,11,16H,6-7H2,(H,17,18)
InChIKeyUBQOTBCJLMTPQF-UHFFFAOYSA-N
MW338.23 g/mol
LogP2.60
Rot. Bonds2

About N-(3-bromoquinolin-8-yl)-1,3-thiazolidine-4-carboxamide

N-(3-bromoquinolin-8-yl)-1,3-thiazolidine-4-carboxamide (PubChem CID 116784376) has the molecular formula C13H12BrN3OS and a molecular weight of 338.23 g/mol. Its IUPAC name is N-(3-bromoquinolin-8-yl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-bromoquinolin-8-yl)-1,3-thiazolidine-4-carboxamide
PubChem CID116784376
Molecular FormulaC13H12BrN3OS
Molecular Weight338.23 g/mol
Exact Mass336.99
IUPAC NameN-(3-bromoquinolin-8-yl)-1,3-thiazolidine-4-carboxamide
SMILESO=C(Nc1cccc2cc(Br)cnc12)C1CSCN1
InChIInChI=1S/C13H12BrN3OS/c14-9-4-8-2-1-3-10(12(8)15-5-9)17-13(18)11-6-19-7-16-11/h1-5,11,16H,6-7H2,(H,17,18)
InChIKeyUBQOTBCJLMTPQF-UHFFFAOYSA-N
XLogP2.60
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.23
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-bromoquinolin-8-yl)thiolane-3-carboxamide
CID 116784684
N-(3-bromoquinolin-8-yl)bicyclo[3.1.0]hexane-3-carboxamide
CID 116784745
N-(3-bromoquinolin-8-yl)-2-methylcyclopropane-1-carboxamide
CID 116784759
N-(3-bromoquinolin-8-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 116784789
N-(2-bromo-3-chlorophenyl)-1,3-thiazolidine-4-carboxamide
CID 103479490
N-(3-bromoquinolin-8-yl)-5-methyloxolane-3-carboxamide
CID 114825727
N-(5-bromo-2-chlorophenyl)-1,3-thiazolidine-4-carboxamide
CID 62908918
N-(3-bromoquinolin-8-yl)-4-(cyclopropanecarbonyl)piperazine-1-carboxamide
CID 166203525
4-bromo-N-(3-bromoquinolin-8-yl)benzamide
CID 116784626
N-(2,3-dimethylphenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119261895
N-(2-hydroxy-3-methylphenyl)-1,3-thiazolidine-4-carboxamide
CID 79602563
N-(4-bromo-2-ethylphenyl)-1,3-thiazolidine-4-carboxamide
CID 81291659

Frequently Asked Questions

What is the IUPAC name of N-(3-bromoquinolin-8-yl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-(3-bromoquinolin-8-yl)-1,3-thiazolidine-4-carboxamide (CID 116784376) is N-(3-bromoquinolin-8-yl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-(3-bromoquinolin-8-yl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-(3-bromoquinolin-8-yl)-1,3-thiazolidine-4-carboxamide is O=C(Nc1cccc2cc(Br)cnc12)C1CSCN1.
What is the InChIKey of N-(3-bromoquinolin-8-yl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is UBQOTBCJLMTPQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrN3OS/c14-9-4-8-2-1-3-10(12(8)15-5-9)17-13(18)11-6-19-7-16-11/h1-5,11,16H,6-7H2,(H,17,18).
What are the key properties of N-(3-bromoquinolin-8-yl)-1,3-thiazolidine-4-carboxamide?
N-(3-bromoquinolin-8-yl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 338.23 g/mol, XLogP of 2.60, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromoquinolin-8-yl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 116784376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).