(4S)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-1,3-thiazolidine-4-carboxamide

C20H22N4O4S3 — CID 50831379

IUPAC(4S)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-1,3-thiazolidine-4-carboxamide
SMILESCc1noc(C)c1S(=O)(=O)N1CSC[C@@H]1C(=O)NCCc1csc(-c2ccccc2)n1
InChIInChI=1S/C20H22N4O4S3/c1-13-18(14(2)28-23-13)31(26,27)24-12-29-11-17(24)19(25)21-9-8-16-10-30-20(22-16)15-6-4-3-5-7-15/h3-7,10,17H,8-9,11-12H2,1-2H3,(H,21,25)/t17-/m1/s1
InChIKeyIIHYCGOHTWFSKK-QGZVFWFLSA-N
MW478.62 g/mol
LogP2.84
Rot. Bonds7

About (4S)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-1,3-thiazolidine-4-carboxamide

(4S)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-1,3-thiazolidine-4-carboxamide (PubChem CID 50831379) has the molecular formula C20H22N4O4S3 and a molecular weight of 478.62 g/mol. Its IUPAC name is (4S)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-1,3-thiazolidine-4-carboxamide
PubChem CID50831379
Molecular FormulaC20H22N4O4S3
Molecular Weight478.62 g/mol
Exact Mass478.08
IUPAC Name(4S)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-1,3-thiazolidine-4-carboxamide
SMILESCc1noc(C)c1S(=O)(=O)N1CSC[C@@H]1C(=O)NCCc1csc(-c2ccccc2)n1
InChIInChI=1S/C20H22N4O4S3/c1-13-18(14(2)28-23-13)31(26,27)24-12-29-11-17(24)19(25)21-9-8-16-10-30-20(22-16)15-6-4-3-5-7-15/h3-7,10,17H,8-9,11-12H2,1-2H3,(H,21,25)/t17-/m1/s1
InChIKeyIIHYCGOHTWFSKK-QGZVFWFLSA-N
XLogP2.84
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.62
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (4S)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-1,3-thiazolidine-4-carboxamide with MolForge

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Related Compounds

1-(benzenesulfonyl)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-2-carboxamide
CID 75554371
3-(2-methylbenzoyl)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-1,3-thiazolidine-4-carboxamide
CID 75554388
3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-1,3-thiazolidine-4-carboxylic acid
CID 43210339
(4S)-3-(2-ethylphenyl)sulfonyl-N-[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethyl]-1,3-thiazolidine-4-carboxamide
CID 46390038
(4S)-3-[(2R)-2-phenylbutanoyl]-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-1,3-thiazolidine-4-carboxamide
CID 92730213
1-(4-ethoxyphenyl)sulfonyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-2-carboxamide
CID 75554424
(4S)-3-(3-cyclopentylpropanoyl)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-1,3-thiazolidine-4-carboxamide
CID 50831160
(2R)-1-(3-chlorophenyl)sulfonyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-2-carboxamide
CID 50831240
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-[4-(propanoylamino)phenyl]sulfonyl-1,3-thiazolidine-4-carboxamide
CID 75554377
2-methyl-1-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]guanidine
CID 111975161
(4S)-3-benzylsulfonyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazolidine-4-carboxamide
CID 20973510
(2R)-1-(3,4-dimethylbenzoyl)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-2-carboxamide
CID 50831663

Frequently Asked Questions

What is the IUPAC name of (4S)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (4S)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-1,3-thiazolidine-4-carboxamide (CID 50831379) is (4S)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (4S)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (4S)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-1,3-thiazolidine-4-carboxamide is Cc1noc(C)c1S(=O)(=O)N1CSC[C@@H]1C(=O)NCCc1csc(-c2ccccc2)n1.
What is the InChIKey of (4S)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-1,3-thiazolidine-4-carboxamide?
The InChIKey is IIHYCGOHTWFSKK-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H22N4O4S3/c1-13-18(14(2)28-23-13)31(26,27)24-12-29-11-17(24)19(25)21-9-8-16-10-30-20(22-16)15-6-4-3-5-7-15/h3-7,10,17H,8-9,11-12H2,1-2H3,(H,21,25)/t17-/m1/s1.
What are the key properties of (4S)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-1,3-thiazolidine-4-carboxamide?
(4S)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-1,3-thiazolidine-4-carboxamide has a molecular weight of 478.62 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 50831379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).