N-[4-[(5Z)-5-[1-(4-aminophenyl)ethylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]phenyl]acetamide

C19H17N3O2S2 — CID 18839074

IUPACN-[4-[(5Z)-5-[1-(4-aminophenyl)ethylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(N2C(=O)/C(=C(\C)c3ccc(N)cc3)SC2=S)cc1
InChIInChI=1S/C19H17N3O2S2/c1-11(13-3-5-14(20)6-4-13)17-18(24)22(19(25)26-17)16-9-7-15(8-10-16)21-12(2)23/h3-10H,20H2,1-2H3,(H,21,23)/b17-11-
InChIKeyODBPYMWUXOGOHY-BOPFTXTBSA-N
MW383.50 g/mol
LogP4.02
Rot. Bonds3

About N-[4-[(5Z)-5-[1-(4-aminophenyl)ethylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]phenyl]acetamide

N-[4-[(5Z)-5-[1-(4-aminophenyl)ethylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]phenyl]acetamide (PubChem CID 18839074) has the molecular formula C19H17N3O2S2 and a molecular weight of 383.50 g/mol. Its IUPAC name is N-[4-[(5Z)-5-[1-(4-aminophenyl)ethylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(5Z)-5-[1-(4-aminophenyl)ethylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]phenyl]acetamide
PubChem CID18839074
Molecular FormulaC19H17N3O2S2
Molecular Weight383.50 g/mol
Exact Mass383.08
IUPAC NameN-[4-[(5Z)-5-[1-(4-aminophenyl)ethylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(N2C(=O)/C(=C(\C)c3ccc(N)cc3)SC2=S)cc1
InChIInChI=1S/C19H17N3O2S2/c1-11(13-3-5-14(20)6-4-13)17-18(24)22(19(25)26-17)16-9-7-15(8-10-16)21-12(2)23/h3-10H,20H2,1-2H3,(H,21,23)/b17-11-
InChIKeyODBPYMWUXOGOHY-BOPFTXTBSA-N
XLogP4.02
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_rhod_A(235)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N-[4-[(5Z)-5-[1-(4-bromophenyl)ethylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]phenyl]acetamide
CID 18839073
N-[4-[(5Z)-5-[1-(4-bromophenyl)ethylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]phenyl]acetamide
CID 18841063
(5Z)-5-[1-(4-aminophenyl)ethylidene]-3-(2-ethylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 18838874
(5Z)-5-[1-(4-chlorophenyl)ethylidene]-3-(4-ethylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 18838884
(5E)-5-[1-(4-fluorophenyl)ethylidene]-3-(4-methoxyphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1332128
2-[4-[(5Z)-5-[1-(4-methoxyphenyl)ethylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]phenyl]acetic acid
CID 18839199
N-[4-[(5E)-5-[(4-methylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]phenyl]acetamide
CID 34886353
N-[4-[(5E)-4-oxo-5-(pyridin-4-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]phenyl]acetamide
CID 34886517
N-[4-[(5Z)-5-[(2-methylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]phenyl]acetamide
CID 18839010
N-[4-[(5Z)-4-oxo-5-(pyridin-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]phenyl]acetamide
CID 7125952
(5Z)-3-(2,6-dimethylphenyl)-5-[1-(4-fluorophenyl)ethylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 18839002
N-[4-[(5E)-5-[(2-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]phenyl]acetamide
CID 2143033

Frequently Asked Questions

What is the IUPAC name of N-[4-[(5Z)-5-[1-(4-aminophenyl)ethylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]phenyl]acetamide?
The IUPAC name of N-[4-[(5Z)-5-[1-(4-aminophenyl)ethylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]phenyl]acetamide (CID 18839074) is N-[4-[(5Z)-5-[1-(4-aminophenyl)ethylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(5Z)-5-[1-(4-aminophenyl)ethylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[(5Z)-5-[1-(4-aminophenyl)ethylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]phenyl]acetamide is CC(=O)Nc1ccc(N2C(=O)/C(=C(\C)c3ccc(N)cc3)SC2=S)cc1.
What is the InChIKey of N-[4-[(5Z)-5-[1-(4-aminophenyl)ethylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]phenyl]acetamide?
The InChIKey is ODBPYMWUXOGOHY-BOPFTXTBSA-N. The full InChI is InChI=1S/C19H17N3O2S2/c1-11(13-3-5-14(20)6-4-13)17-18(24)22(19(25)26-17)16-9-7-15(8-10-16)21-12(2)23/h3-10H,20H2,1-2H3,(H,21,23)/b17-11-.
What are the key properties of N-[4-[(5Z)-5-[1-(4-aminophenyl)ethylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]phenyl]acetamide?
N-[4-[(5Z)-5-[1-(4-aminophenyl)ethylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]phenyl]acetamide has a molecular weight of 383.50 g/mol, XLogP of 4.02, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(5Z)-5-[1-(4-aminophenyl)ethylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]phenyl]acetamide is sourced from PubChem (CID 18839074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).