N-[3-[(4-chlorophenyl)methylsulfanyl]-1H-1,2,4-triazol-5-yl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide

C14H14ClN5O2S2 — CID 9120334

IUPACN-[3-[(4-chlorophenyl)methylsulfanyl]-1H-1,2,4-triazol-5-yl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
SMILESO=C(CN1CSCC1=O)Nc1nc(SCc2ccc(Cl)cc2)n[nH]1
InChIInChI=1S/C14H14ClN5O2S2/c15-10-3-1-9(2-4-10)6-24-14-17-13(18-19-14)16-11(21)5-20-8-23-7-12(20)22/h1-4H,5-8H2,(H2,16,17,18,19,21)
InChIKeyFHGWUXGXAKTSKY-UHFFFAOYSA-N
MW383.89 g/mol
LogP2.22
Rot. Bonds6

About N-[3-[(4-chlorophenyl)methylsulfanyl]-1H-1,2,4-triazol-5-yl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide

N-[3-[(4-chlorophenyl)methylsulfanyl]-1H-1,2,4-triazol-5-yl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide (PubChem CID 9120334) has the molecular formula C14H14ClN5O2S2 and a molecular weight of 383.89 g/mol. Its IUPAC name is N-[3-[(4-chlorophenyl)methylsulfanyl]-1H-1,2,4-triazol-5-yl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide.

Molecular Properties

Compound NameN-[3-[(4-chlorophenyl)methylsulfanyl]-1H-1,2,4-triazol-5-yl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
PubChem CID9120334
Molecular FormulaC14H14ClN5O2S2
Molecular Weight383.89 g/mol
Exact Mass383.03
IUPAC NameN-[3-[(4-chlorophenyl)methylsulfanyl]-1H-1,2,4-triazol-5-yl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
SMILESO=C(CN1CSCC1=O)Nc1nc(SCc2ccc(Cl)cc2)n[nH]1
InChIInChI=1S/C14H14ClN5O2S2/c15-10-3-1-9(2-4-10)6-24-14-17-13(18-19-14)16-11(21)5-20-8-23-7-12(20)22/h1-4H,5-8H2,(H2,16,17,18,19,21)
InChIKeyFHGWUXGXAKTSKY-UHFFFAOYSA-N
XLogP2.22
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.89
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-chlorophenyl)methylsulfanyl]-1H-1,2,4-triazol-5-yl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide?
The IUPAC name of N-[3-[(4-chlorophenyl)methylsulfanyl]-1H-1,2,4-triazol-5-yl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide (CID 9120334) is N-[3-[(4-chlorophenyl)methylsulfanyl]-1H-1,2,4-triazol-5-yl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide.
What is the SMILES notation for N-[3-[(4-chlorophenyl)methylsulfanyl]-1H-1,2,4-triazol-5-yl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide?
The canonical SMILES for N-[3-[(4-chlorophenyl)methylsulfanyl]-1H-1,2,4-triazol-5-yl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide is O=C(CN1CSCC1=O)Nc1nc(SCc2ccc(Cl)cc2)n[nH]1.
What is the InChIKey of N-[3-[(4-chlorophenyl)methylsulfanyl]-1H-1,2,4-triazol-5-yl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide?
The InChIKey is FHGWUXGXAKTSKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN5O2S2/c15-10-3-1-9(2-4-10)6-24-14-17-13(18-19-14)16-11(21)5-20-8-23-7-12(20)22/h1-4H,5-8H2,(H2,16,17,18,19,21).
What are the key properties of N-[3-[(4-chlorophenyl)methylsulfanyl]-1H-1,2,4-triazol-5-yl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide?
N-[3-[(4-chlorophenyl)methylsulfanyl]-1H-1,2,4-triazol-5-yl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide has a molecular weight of 383.89 g/mol, XLogP of 2.22, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-chlorophenyl)methylsulfanyl]-1H-1,2,4-triazol-5-yl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide is sourced from PubChem (CID 9120334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).