N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-1,3-thiazolidine-4-carboxamide

C13H15ClN2O2S — CID 119301900

IUPACN-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-1,3-thiazolidine-4-carboxamide
SMILESO=C(NC1CCOc2c(Cl)cccc21)C1CSCN1
InChIInChI=1S/C13H15ClN2O2S/c14-9-3-1-2-8-10(4-5-18-12(8)9)16-13(17)11-6-19-7-15-11/h1-3,10-11,15H,4-7H2,(H,16,17)
InChIKeyVTZJUPKBQXKJAM-UHFFFAOYSA-N
MW298.79 g/mol
LogP1.94
Rot. Bonds2

About N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-1,3-thiazolidine-4-carboxamide

N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-1,3-thiazolidine-4-carboxamide (PubChem CID 119301900) has the molecular formula C13H15ClN2O2S and a molecular weight of 298.79 g/mol. Its IUPAC name is N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-1,3-thiazolidine-4-carboxamide
PubChem CID119301900
Molecular FormulaC13H15ClN2O2S
Molecular Weight298.79 g/mol
Exact Mass298.05
IUPAC NameN-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-1,3-thiazolidine-4-carboxamide
SMILESO=C(NC1CCOc2c(Cl)cccc21)C1CSCN1
InChIInChI=1S/C13H15ClN2O2S/c14-9-3-1-2-8-10(4-5-18-12(8)9)16-13(17)11-6-19-7-15-11/h1-3,10-11,15H,4-7H2,(H,16,17)
InChIKeyVTZJUPKBQXKJAM-UHFFFAOYSA-N
XLogP1.94
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.79
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dihydro-2H-chromen-4-yl)-1,3-thiazolidine-4-carboxamide
CID 43709570
N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)piperidine-4-carboxamide
CID 119301911
trans-(1R,2R)-2-[[(4R)-8-chloro-3,4-dihydro-2H-chromen-4-yl]carbamoyl]cyclopropane-1-carboxylic acid
CID 125119661
N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-2-hydroxybenzamide
CID 60572033
N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-3-methylazetidine-3-carboxamide
CID 128874525
(3R)-N-[(4R)-8-chloro-3,4-dihydro-2H-chromen-4-yl]-1-ethyl-5-oxopyrrolidine-3-carboxamide
CID 94660912
1-benzyl-N-[(4S)-8-chloro-3,4-dihydro-2H-chromen-4-yl]piperidine-4-carboxamide
CID 95279883
N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-2-methyl-3-(methylamino)propanamide
CID 119746250
(4S)-N-(2-chlorophenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119261984
N-(2-bromo-3-chlorophenyl)-1,3-thiazolidine-4-carboxamide
CID 103479490
4-acetamido-N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)benzamide
CID 60572091
N-[(4R)-7,8-dichloro-3,4-dihydro-2H-chromen-4-yl]oxane-4-carboxamide
CID 99795973

Frequently Asked Questions

What is the IUPAC name of N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-1,3-thiazolidine-4-carboxamide (CID 119301900) is N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-1,3-thiazolidine-4-carboxamide is O=C(NC1CCOc2c(Cl)cccc21)C1CSCN1.
What is the InChIKey of N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is VTZJUPKBQXKJAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O2S/c14-9-3-1-2-8-10(4-5-18-12(8)9)16-13(17)11-6-19-7-15-11/h1-3,10-11,15H,4-7H2,(H,16,17).
What are the key properties of N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-1,3-thiazolidine-4-carboxamide?
N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 298.79 g/mol, XLogP of 1.94, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 119301900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).