N-[(5-chloro-2-fluorophenyl)methyl]-1,3-thiazolidine-4-carboxamide

C11H12ClFN2OS — CID 110794483

IUPACN-[(5-chloro-2-fluorophenyl)methyl]-1,3-thiazolidine-4-carboxamide
SMILESO=C(NCc1cc(Cl)ccc1F)C1CSCN1
InChIInChI=1S/C11H12ClFN2OS/c12-8-1-2-9(13)7(3-8)4-14-11(16)10-5-17-6-15-10/h1-3,10,15H,4-6H2,(H,14,16)
InChIKeyMNJCNOFABYWEHQ-UHFFFAOYSA-N
MW274.75 g/mol
LogP1.76
Rot. Bonds3

About N-[(5-chloro-2-fluorophenyl)methyl]-1,3-thiazolidine-4-carboxamide

N-[(5-chloro-2-fluorophenyl)methyl]-1,3-thiazolidine-4-carboxamide (PubChem CID 110794483) has the molecular formula C11H12ClFN2OS and a molecular weight of 274.75 g/mol. Its IUPAC name is N-[(5-chloro-2-fluorophenyl)methyl]-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-[(5-chloro-2-fluorophenyl)methyl]-1,3-thiazolidine-4-carboxamide
PubChem CID110794483
Molecular FormulaC11H12ClFN2OS
Molecular Weight274.75 g/mol
Exact Mass274.03
IUPAC NameN-[(5-chloro-2-fluorophenyl)methyl]-1,3-thiazolidine-4-carboxamide
SMILESO=C(NCc1cc(Cl)ccc1F)C1CSCN1
InChIInChI=1S/C11H12ClFN2OS/c12-8-1-2-9(13)7(3-8)4-14-11(16)10-5-17-6-15-10/h1-3,10,15H,4-6H2,(H,14,16)
InChIKeyMNJCNOFABYWEHQ-UHFFFAOYSA-N
XLogP1.76
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,4-dichlorophenyl)methyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119263497
(4R)-N-[(2-ethylphenyl)methyl]-1,3-thiazolidine-4-carboxamide
CID 141124535
(4R)-N-[(2R)-2-(2,4-dichlorophenyl)-2-hydroxyethyl]-1,3-thiazolidine-4-carboxamide
CID 124594947
N-benzyl-1,3-thiazolidine-4-carboxamide
CID 24693076
N-[[4-[2-(4-chlorophenoxy)ethoxy]phenyl]methyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119317658
N-[(5-chloro-2-fluorophenyl)methyl]pyrrolidine-3-carboxamide
CID 115159517
N-[(5-chloro-4-methoxy-2-methylphenyl)methyl]-1,3-thiazolidine-4-carboxamide
CID 110793934
N-[(2,5-difluorophenyl)methyl]piperidine-2-carboxamide
CID 63795889
N-[(2-methoxyphenyl)methyl]-1,3-thiazolidine-4-carboxamide
CID 24698551
N-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-thiazolidine-4-carboxamide
CID 61254584
N-[(4-methylsulfanylphenyl)methyl]-1,3-thiazolidine-4-carboxamide
CID 110794499
N-[(4,5-dimethoxy-2-methylphenyl)methyl]-1,3-thiazolidine-4-carboxamide
CID 110794315

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-fluorophenyl)methyl]-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-[(5-chloro-2-fluorophenyl)methyl]-1,3-thiazolidine-4-carboxamide (CID 110794483) is N-[(5-chloro-2-fluorophenyl)methyl]-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-[(5-chloro-2-fluorophenyl)methyl]-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-[(5-chloro-2-fluorophenyl)methyl]-1,3-thiazolidine-4-carboxamide is O=C(NCc1cc(Cl)ccc1F)C1CSCN1.
What is the InChIKey of N-[(5-chloro-2-fluorophenyl)methyl]-1,3-thiazolidine-4-carboxamide?
The InChIKey is MNJCNOFABYWEHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClFN2OS/c12-8-1-2-9(13)7(3-8)4-14-11(16)10-5-17-6-15-10/h1-3,10,15H,4-6H2,(H,14,16).
What are the key properties of N-[(5-chloro-2-fluorophenyl)methyl]-1,3-thiazolidine-4-carboxamide?
N-[(5-chloro-2-fluorophenyl)methyl]-1,3-thiazolidine-4-carboxamide has a molecular weight of 274.75 g/mol, XLogP of 1.76, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2-fluorophenyl)methyl]-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 110794483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).