(NZ)-N-[(5Z)-4-oxo-3-prop-2-enyl-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]thiophene-2-sulfonamide

C15H12N2O3S4 — CID 18398171

IUPAC(NZ)-N-[(5Z)-4-oxo-3-prop-2-enyl-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]thiophene-2-sulfonamide
SMILESC=CCN1C(=O)/C(=C/c2cccs2)S/C1=N\S(=O)(=O)c1cccs1
InChIInChI=1S/C15H12N2O3S4/c1-2-7-17-14(18)12(10-11-5-3-8-21-11)23-15(17)16-24(19,20)13-6-4-9-22-13/h2-6,8-10H,1,7H2/b12-10-,16-15-
InChIKeyTYSDPGAXWTYTHD-LYZHNOTLSA-N
MW396.54 g/mol
LogP3.66
Rot. Bonds5

About (NZ)-N-[(5Z)-4-oxo-3-prop-2-enyl-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]thiophene-2-sulfonamide

(NZ)-N-[(5Z)-4-oxo-3-prop-2-enyl-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]thiophene-2-sulfonamide (PubChem CID 18398171) has the molecular formula C15H12N2O3S4 and a molecular weight of 396.54 g/mol. Its IUPAC name is (NZ)-N-[(5Z)-4-oxo-3-prop-2-enyl-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]thiophene-2-sulfonamide.

Molecular Properties

Compound Name(NZ)-N-[(5Z)-4-oxo-3-prop-2-enyl-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]thiophene-2-sulfonamide
PubChem CID18398171
Molecular FormulaC15H12N2O3S4
Molecular Weight396.54 g/mol
Exact Mass395.97
IUPAC Name(NZ)-N-[(5Z)-4-oxo-3-prop-2-enyl-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]thiophene-2-sulfonamide
SMILESC=CCN1C(=O)/C(=C/c2cccs2)S/C1=N\S(=O)(=O)c1cccs1
InChIInChI=1S/C15H12N2O3S4/c1-2-7-17-14(18)12(10-11-5-3-8-21-11)23-15(17)16-24(19,20)13-6-4-9-22-13/h2-6,8-10H,1,7H2/b12-10-,16-15-
InChIKeyTYSDPGAXWTYTHD-LYZHNOTLSA-N
XLogP3.66
TPSA66.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.54
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-bromo-N-[4-oxo-3-prop-2-enyl-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]benzenesulfonamide
CID 5136232
N-[(5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene]thiophene-2-sulfonamide
CID 51445696
(NE)-N-[(5Z)-5-[(3-methoxy-4-pentoxyphenyl)methylidene]-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene]thiophene-2-sulfonamide
CID 6299383
N-[(5Z)-5-benzylidene-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]thiophene-2-sulfonamide
CID 7273180
N-[4-oxo-3-prop-2-enyl-5-[2-(1,3,3-trimethylindol-2-ylidene)ethylidene]-1,3-thiazolidin-2-ylidene]thiophene-2-sulfonamide
CID 3881009
N-[(5S)-5-methyl-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene]thiophene-2-sulfonamide
CID 7273269
N-[(5Z)-3-ethyl-5-(furan-2-ylmethylidene)-4-oxo-1,3-thiazolidin-2-ylidene]thiophene-2-sulfonamide
CID 7273187
N-[5-[(2-fluorophenyl)methylidene]-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene]benzenesulfonamide
CID 1236598
N-(5-ethyl-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene)thiophene-2-sulfonamide
CID 4535450
N-[(5Z)-5-[(2,4-dihydroxyphenyl)methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]thiophene-2-sulfonamide
CID 7273188
4-bromo-N-[5-[(4-bromophenyl)methylidene]-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene]benzenesulfonamide
CID 4987476
(NZ)-N-[(5Z)-5-[(2-fluorophenyl)methylidene]-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene]-4-methylbenzenesulfonamide
CID 6520720

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[(5Z)-4-oxo-3-prop-2-enyl-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]thiophene-2-sulfonamide?
The IUPAC name of (NZ)-N-[(5Z)-4-oxo-3-prop-2-enyl-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]thiophene-2-sulfonamide (CID 18398171) is (NZ)-N-[(5Z)-4-oxo-3-prop-2-enyl-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]thiophene-2-sulfonamide.
What is the SMILES notation for (NZ)-N-[(5Z)-4-oxo-3-prop-2-enyl-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]thiophene-2-sulfonamide?
The canonical SMILES for (NZ)-N-[(5Z)-4-oxo-3-prop-2-enyl-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]thiophene-2-sulfonamide is C=CCN1C(=O)/C(=C/c2cccs2)S/C1=N\S(=O)(=O)c1cccs1.
What is the InChIKey of (NZ)-N-[(5Z)-4-oxo-3-prop-2-enyl-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]thiophene-2-sulfonamide?
The InChIKey is TYSDPGAXWTYTHD-LYZHNOTLSA-N. The full InChI is InChI=1S/C15H12N2O3S4/c1-2-7-17-14(18)12(10-11-5-3-8-21-11)23-15(17)16-24(19,20)13-6-4-9-22-13/h2-6,8-10H,1,7H2/b12-10-,16-15-.
What are the key properties of (NZ)-N-[(5Z)-4-oxo-3-prop-2-enyl-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]thiophene-2-sulfonamide?
(NZ)-N-[(5Z)-4-oxo-3-prop-2-enyl-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]thiophene-2-sulfonamide has a molecular weight of 396.54 g/mol, XLogP of 3.66, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[(5Z)-4-oxo-3-prop-2-enyl-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]thiophene-2-sulfonamide is sourced from PubChem (CID 18398171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).