(4R)-3-butanoyl-N-(2-chloro-5-fluorophenyl)-1,3-thiazolidine-4-carboxamide

C14H16ClFN2O2S — CID 124505916

IUPAC(4R)-3-butanoyl-N-(2-chloro-5-fluorophenyl)-1,3-thiazolidine-4-carboxamide
SMILESCCCC(=O)N1CSC[C@H]1C(=O)Nc1cc(F)ccc1Cl
InChIInChI=1S/C14H16ClFN2O2S/c1-2-3-13(19)18-8-21-7-12(18)14(20)17-11-6-9(16)4-5-10(11)15/h4-6,12H,2-3,7-8H2,1H3,(H,17,20)/t12-/m0/s1
InChIKeySZSCURDZMXLWLH-LBPRGKRZSA-N
MW330.81 g/mol
LogP3.12
Rot. Bonds4

About (4R)-3-butanoyl-N-(2-chloro-5-fluorophenyl)-1,3-thiazolidine-4-carboxamide

(4R)-3-butanoyl-N-(2-chloro-5-fluorophenyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 124505916) has the molecular formula C14H16ClFN2O2S and a molecular weight of 330.81 g/mol. Its IUPAC name is (4R)-3-butanoyl-N-(2-chloro-5-fluorophenyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(4R)-3-butanoyl-N-(2-chloro-5-fluorophenyl)-1,3-thiazolidine-4-carboxamide
PubChem CID124505916
Molecular FormulaC14H16ClFN2O2S
Molecular Weight330.81 g/mol
Exact Mass330.06
IUPAC Name(4R)-3-butanoyl-N-(2-chloro-5-fluorophenyl)-1,3-thiazolidine-4-carboxamide
SMILESCCCC(=O)N1CSC[C@H]1C(=O)Nc1cc(F)ccc1Cl
InChIInChI=1S/C14H16ClFN2O2S/c1-2-3-13(19)18-8-21-7-12(18)14(20)17-11-6-9(16)4-5-10(11)15/h4-6,12H,2-3,7-8H2,1H3,(H,17,20)/t12-/m0/s1
InChIKeySZSCURDZMXLWLH-LBPRGKRZSA-N
XLogP3.12
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.81
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-butanoyl-N-(2-chloro-5-fluorophenyl)piperidine-2-carboxamide
CID 124505918
3-butanoyl-N-(6-methyl-1H-indazol-5-yl)-1,3-thiazolidine-4-carboxamide
CID 155949921
(4R)-N-(4-fluorophenyl)-3-[2-(2-methoxyethoxy)acetyl]-1,3-thiazolidine-4-carboxamide
CID 95233038
(4R)-3-benzoyl-N-(2,5-dichlorophenyl)-1,3-thiazolidine-4-carboxamide
CID 52716357
N-(4-chloro-2-pyrrol-1-ylphenyl)-3-propanoyl-1,3-thiazolidine-4-carboxamide
CID 86904057
2-methyl-5-[(3-pentanoyl-1,3-thiazolidine-4-carbonyl)amino]benzoic acid
CID 119255264
3-[(2-chloro-4-fluorophenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 61184642
3-benzoyl-N-(2,4-difluorophenyl)-1,3-thiazolidine-4-carboxamide
CID 51330773
N-(2-chloro-5-fluorophenyl)acetamide
CID 102458235
(4S)-N-(3-fluoro-4-pyrazol-1-ylphenyl)-3-propanoyl-1,3-thiazolidine-4-carboxamide
CID 95326882
(4S)-N-(2-fluorophenyl)-3-(2-naphthalen-1-ylacetyl)-1,3-thiazolidine-4-carboxamide
CID 95154769
3-(2-ethylbutanoyl)-N-(2-fluorophenyl)-1,3-thiazolidine-4-carboxamide
CID 4317382

Frequently Asked Questions

What is the IUPAC name of (4R)-3-butanoyl-N-(2-chloro-5-fluorophenyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (4R)-3-butanoyl-N-(2-chloro-5-fluorophenyl)-1,3-thiazolidine-4-carboxamide (CID 124505916) is (4R)-3-butanoyl-N-(2-chloro-5-fluorophenyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (4R)-3-butanoyl-N-(2-chloro-5-fluorophenyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (4R)-3-butanoyl-N-(2-chloro-5-fluorophenyl)-1,3-thiazolidine-4-carboxamide is CCCC(=O)N1CSC[C@H]1C(=O)Nc1cc(F)ccc1Cl.
What is the InChIKey of (4R)-3-butanoyl-N-(2-chloro-5-fluorophenyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is SZSCURDZMXLWLH-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H16ClFN2O2S/c1-2-3-13(19)18-8-21-7-12(18)14(20)17-11-6-9(16)4-5-10(11)15/h4-6,12H,2-3,7-8H2,1H3,(H,17,20)/t12-/m0/s1.
What are the key properties of (4R)-3-butanoyl-N-(2-chloro-5-fluorophenyl)-1,3-thiazolidine-4-carboxamide?
(4R)-3-butanoyl-N-(2-chloro-5-fluorophenyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 330.81 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-butanoyl-N-(2-chloro-5-fluorophenyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 124505916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).