(4S)-N-(2,3-dimethylphenyl)-3-(5-methyl-1H-pyrazole-4-carbonyl)-1,3-thiazolidine-4-carboxamide

C17H20N4O2S — CID 125130071

IUPAC(4S)-N-(2,3-dimethylphenyl)-3-(5-methyl-1H-pyrazole-4-carbonyl)-1,3-thiazolidine-4-carboxamide
SMILESCc1cccc(NC(=O)[C@H]2CSCN2C(=O)c2cn[nH]c2C)c1C
InChIInChI=1S/C17H20N4O2S/c1-10-5-4-6-14(11(10)2)19-16(22)15-8-24-9-21(15)17(23)13-7-18-20-12(13)3/h4-7,15H,8-9H2,1-3H3,(H,18,20)(H,19,22)/t15-/m1/s1
InChIKeyHYCDNRRUMLFUSA-OAHLLOKOSA-N
MW344.44 g/mol
LogP2.49
Rot. Bonds3

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

(4S)-N-(2,3-dimethylphenyl)-3-(5-methyl-1H-pyrazole-4-carbonyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 125130071) has the molecular formula C17H20N4O2S and a molecular weight of 344.44 g/mol. Its IUPAC name is (4S)-N-(2,3-dimethylphenyl)-3-(5-methyl-1H-pyrazole-4-carbonyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-N-(2,3-dimethylphenyl)-3-(5-methyl-1H-pyrazole-4-carbonyl)-1,3-thiazolidine-4-carboxamide
PubChem CID125130071
Molecular FormulaC17H20N4O2S
Molecular Weight344.44 g/mol
Exact Mass344.13
IUPAC Name(4S)-N-(2,3-dimethylphenyl)-3-(5-methyl-1H-pyrazole-4-carbonyl)-1,3-thiazolidine-4-carboxamide
SMILESCc1cccc(NC(=O)[C@H]2CSCN2C(=O)c2cn[nH]c2C)c1C
InChIInChI=1S/C17H20N4O2S/c1-10-5-4-6-14(11(10)2)19-16(22)15-8-24-9-21(15)17(23)13-7-18-20-12(13)3/h4-7,15H,8-9H2,1-3H3,(H,18,20)(H,19,22)/t15-/m1/s1
InChIKeyHYCDNRRUMLFUSA-OAHLLOKOSA-N
XLogP2.49
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4S)-N-(2,3-dimethylphenyl)-3-(1,2,5-thiadiazole-3-carbonyl)-1,3-thiazolidine-4-carboxamide
CID 95292323
(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
(4S)-N-(3,4-dimethylphenyl)-3-(2-methylbenzoyl)-1,3-thiazolidine-4-carboxamide
CID 95158596
(4S)-3-benzoyl-N-(2,4-dimethylphenyl)-1,3-thiazolidine-4-carboxamide
CID 97310871
3-butanoyl-N-(6-methyl-1H-indazol-5-yl)-1,3-thiazolidine-4-carboxamide
CID 155949921
(4R)-N-(2,4-dimethylphenyl)-3-(pyridine-3-carbonyl)-1,3-thiazolidine-4-carboxamide
CID 95326752
N-(2,3-dimethylphenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119261895
N-(2-methylphenyl)-3-(2-thiophen-2-ylacetyl)-1,3-thiazolidine-4-carboxamide
CID 122131672
N-[2-(dimethylamino)ethyl]-3-(2-methylbenzoyl)-1,3-thiazolidine-4-carboxamide
CID 42744376
(4R)-3-benzoyl-N-[4-(dimethylamino)-2-methylphenyl]-1,3-thiazolidine-4-carboxamide
CID 55940652

Frequently Asked Questions

What is the IUPAC name of (4S)-N-(2,3-dimethylphenyl)-3-(5-methyl-1H-pyrazole-4-carbonyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (4S)-N-(2,3-dimethylphenyl)-3-(5-methyl-1H-pyrazole-4-carbonyl)-1,3-thiazolidine-4-carboxamide (CID 125130071) is (4S)-N-(2,3-dimethylphenyl)-3-(5-methyl-1H-pyrazole-4-carbonyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (4S)-N-(2,3-dimethylphenyl)-3-(5-methyl-1H-pyrazole-4-carbonyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (4S)-N-(2,3-dimethylphenyl)-3-(5-methyl-1H-pyrazole-4-carbonyl)-1,3-thiazolidine-4-carboxamide is Cc1cccc(NC(=O)[C@H]2CSCN2C(=O)c2cn[nH]c2C)c1C.
What is the InChIKey of (4S)-N-(2,3-dimethylphenyl)-3-(5-methyl-1H-pyrazole-4-carbonyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is HYCDNRRUMLFUSA-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H20N4O2S/c1-10-5-4-6-14(11(10)2)19-16(22)15-8-24-9-21(15)17(23)13-7-18-20-12(13)3/h4-7,15H,8-9H2,1-3H3,(H,18,20)(H,19,22)/t15-/m1/s1.
What are the key properties of (4S)-N-(2,3-dimethylphenyl)-3-(5-methyl-1H-pyrazole-4-carbonyl)-1,3-thiazolidine-4-carboxamide?
(4S)-N-(2,3-dimethylphenyl)-3-(5-methyl-1H-pyrazole-4-carbonyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 344.44 g/mol, XLogP of 2.49, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-(2,3-dimethylphenyl)-3-(5-methyl-1H-pyrazole-4-carbonyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 125130071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).