(4S)-N-(2,3-dimethylphenyl)-3-(1,2,5-thiadiazole-3-carbonyl)-1,3-thiazolidine-4-carboxamide

C15H16N4O2S2 — CID 95292323

IUPAC(4S)-N-(2,3-dimethylphenyl)-3-(1,2,5-thiadiazole-3-carbonyl)-1,3-thiazolidine-4-carboxamide
SMILESCc1cccc(NC(=O)[C@H]2CSCN2C(=O)c2cnsn2)c1C
InChIInChI=1S/C15H16N4O2S2/c1-9-4-3-5-11(10(9)2)17-14(20)13-7-22-8-19(13)15(21)12-6-16-23-18-12/h3-6,13H,7-8H2,1-2H3,(H,17,20)/t13-/m1/s1
InChIKeyNEOMNIAMTSQJMF-CYBMUJFWSA-N
MW348.45 g/mol
LogP2.31
Rot. Bonds3

About (4S)-N-(2,3-dimethylphenyl)-3-(1,2,5-thiadiazole-3-carbonyl)-1,3-thiazolidine-4-carboxamide

(4S)-N-(2,3-dimethylphenyl)-3-(1,2,5-thiadiazole-3-carbonyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 95292323) has the molecular formula C15H16N4O2S2 and a molecular weight of 348.45 g/mol. Its IUPAC name is (4S)-N-(2,3-dimethylphenyl)-3-(1,2,5-thiadiazole-3-carbonyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-N-(2,3-dimethylphenyl)-3-(1,2,5-thiadiazole-3-carbonyl)-1,3-thiazolidine-4-carboxamide
PubChem CID95292323
Molecular FormulaC15H16N4O2S2
Molecular Weight348.45 g/mol
Exact Mass348.07
IUPAC Name(4S)-N-(2,3-dimethylphenyl)-3-(1,2,5-thiadiazole-3-carbonyl)-1,3-thiazolidine-4-carboxamide
SMILESCc1cccc(NC(=O)[C@H]2CSCN2C(=O)c2cnsn2)c1C
InChIInChI=1S/C15H16N4O2S2/c1-9-4-3-5-11(10(9)2)17-14(20)13-7-22-8-19(13)15(21)12-6-16-23-18-12/h3-6,13H,7-8H2,1-2H3,(H,17,20)/t13-/m1/s1
InChIKeyNEOMNIAMTSQJMF-CYBMUJFWSA-N
XLogP2.31
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(4S)-N-(2,3-dimethylphenyl)-3-(5-methyl-1H-pyrazole-4-carbonyl)-1,3-thiazolidine-4-carboxamide
CID 125130071
(4R)-N-(2,3-dimethylphenyl)-3-(thiophene-3-carbonyl)-1,3-thiazolidine-4-carboxamide
CID 95317689
(4S)-N-(2,3-dimethylphenyl)-3-(furan-2-carbonyl)-1,3-thiazolidine-4-carboxamide
CID 95316914
3-[(2,3-dimethylphenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 61200074
(4R)-3-(4-ethoxybenzoyl)-N-(2-methylphenyl)-1,3-thiazolidine-4-carboxamide
CID 97312987
(4S)-3-benzoyl-N-(2,4-dimethylphenyl)-1,3-thiazolidine-4-carboxamide
CID 97310871
(4R)-N-(2,4-dimethylphenyl)-3-(pyridine-3-carbonyl)-1,3-thiazolidine-4-carboxamide
CID 95326752
(4S)-N-(3-methylphenyl)-3-(6-methylpyridine-2-carbonyl)-1,3-thiazolidine-4-carboxamide
CID 95303764
(4R)-N-(4-fluorophenyl)-3-(5-methylpyrazine-2-carbonyl)-1,3-thiazolidine-4-carboxamide
CID 95296252
N-(2-methylphenyl)-3-(2-thiophen-2-ylacetyl)-1,3-thiazolidine-4-carboxamide
CID 122131672
(4S)-N-(3,4-dimethylphenyl)-3-(2-methylbenzoyl)-1,3-thiazolidine-4-carboxamide
CID 95158596
N-(2,3-dimethylphenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119261895

Frequently Asked Questions

What is the IUPAC name of (4S)-N-(2,3-dimethylphenyl)-3-(1,2,5-thiadiazole-3-carbonyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (4S)-N-(2,3-dimethylphenyl)-3-(1,2,5-thiadiazole-3-carbonyl)-1,3-thiazolidine-4-carboxamide (CID 95292323) is (4S)-N-(2,3-dimethylphenyl)-3-(1,2,5-thiadiazole-3-carbonyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (4S)-N-(2,3-dimethylphenyl)-3-(1,2,5-thiadiazole-3-carbonyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (4S)-N-(2,3-dimethylphenyl)-3-(1,2,5-thiadiazole-3-carbonyl)-1,3-thiazolidine-4-carboxamide is Cc1cccc(NC(=O)[C@H]2CSCN2C(=O)c2cnsn2)c1C.
What is the InChIKey of (4S)-N-(2,3-dimethylphenyl)-3-(1,2,5-thiadiazole-3-carbonyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is NEOMNIAMTSQJMF-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H16N4O2S2/c1-9-4-3-5-11(10(9)2)17-14(20)13-7-22-8-19(13)15(21)12-6-16-23-18-12/h3-6,13H,7-8H2,1-2H3,(H,17,20)/t13-/m1/s1.
What are the key properties of (4S)-N-(2,3-dimethylphenyl)-3-(1,2,5-thiadiazole-3-carbonyl)-1,3-thiazolidine-4-carboxamide?
(4S)-N-(2,3-dimethylphenyl)-3-(1,2,5-thiadiazole-3-carbonyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 348.45 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-(2,3-dimethylphenyl)-3-(1,2,5-thiadiazole-3-carbonyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 95292323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).