N-[5-[[2-(4-chlorophenyl)-1,3-thiazolidin-3-yl]sulfonyl]-1,3-thiazol-2-yl]acetamide

C14H14ClN3O3S3 — CID 122329642

IUPACN-[5-[[2-(4-chlorophenyl)-1,3-thiazolidin-3-yl]sulfonyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(S(=O)(=O)N2CCSC2c2ccc(Cl)cc2)s1
InChIInChI=1S/C14H14ClN3O3S3/c1-9(19)17-14-16-8-12(23-14)24(20,21)18-6-7-22-13(18)10-2-4-11(15)5-3-10/h2-5,8,13H,6-7H2,1H3,(H,16,17,19)
InChIKeyPUZKJQSKMIGGFZ-UHFFFAOYSA-N
MW403.94 g/mol
LogP3.19
Rot. Bonds4

About N-[5-[[2-(4-chlorophenyl)-1,3-thiazolidin-3-yl]sulfonyl]-1,3-thiazol-2-yl]acetamide

N-[5-[[2-(4-chlorophenyl)-1,3-thiazolidin-3-yl]sulfonyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 122329642) has the molecular formula C14H14ClN3O3S3 and a molecular weight of 403.94 g/mol. Its IUPAC name is N-[5-[[2-(4-chlorophenyl)-1,3-thiazolidin-3-yl]sulfonyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[[2-(4-chlorophenyl)-1,3-thiazolidin-3-yl]sulfonyl]-1,3-thiazol-2-yl]acetamide
PubChem CID122329642
Molecular FormulaC14H14ClN3O3S3
Molecular Weight403.94 g/mol
Exact Mass402.99
IUPAC NameN-[5-[[2-(4-chlorophenyl)-1,3-thiazolidin-3-yl]sulfonyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(S(=O)(=O)N2CCSC2c2ccc(Cl)cc2)s1
InChIInChI=1S/C14H14ClN3O3S3/c1-9(19)17-14-16-8-12(23-14)24(20,21)18-6-7-22-13(18)10-2-4-11(15)5-3-10/h2-5,8,13H,6-7H2,1H3,(H,16,17,19)
InChIKeyPUZKJQSKMIGGFZ-UHFFFAOYSA-N
XLogP3.19
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.94
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[[2-(4-chlorophenyl)-1,3-thiazolidin-3-yl]sulfonyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-[[2-(4-chlorophenyl)-1,3-thiazolidin-3-yl]sulfonyl]-1,3-thiazol-2-yl]acetamide (CID 122329642) is N-[5-[[2-(4-chlorophenyl)-1,3-thiazolidin-3-yl]sulfonyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[[2-(4-chlorophenyl)-1,3-thiazolidin-3-yl]sulfonyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[[2-(4-chlorophenyl)-1,3-thiazolidin-3-yl]sulfonyl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1ncc(S(=O)(=O)N2CCSC2c2ccc(Cl)cc2)s1.
What is the InChIKey of N-[5-[[2-(4-chlorophenyl)-1,3-thiazolidin-3-yl]sulfonyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is PUZKJQSKMIGGFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O3S3/c1-9(19)17-14-16-8-12(23-14)24(20,21)18-6-7-22-13(18)10-2-4-11(15)5-3-10/h2-5,8,13H,6-7H2,1H3,(H,16,17,19).
What are the key properties of N-[5-[[2-(4-chlorophenyl)-1,3-thiazolidin-3-yl]sulfonyl]-1,3-thiazol-2-yl]acetamide?
N-[5-[[2-(4-chlorophenyl)-1,3-thiazolidin-3-yl]sulfonyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 403.94 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[2-(4-chlorophenyl)-1,3-thiazolidin-3-yl]sulfonyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 122329642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).