(NZ)-N-(2-amino-1,3-thiazol-4-ylidene)-4-methylbenzenesulfonamide

C10H11N3O2S2 — CID 24973844

IUPAC(NZ)-N-(2-amino-1,3-thiazol-4-ylidene)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)/N=C2/CSC(N)=N2)cc1
InChIInChI=1S/C10H11N3O2S2/c1-7-2-4-8(5-3-7)17(14,15)13-9-6-16-10(11)12-9/h2-5H,6H2,1H3,(H2,11,12,13)
InChIKeyWQMPVTFESZYFRV-UHFFFAOYSA-N
MW269.35 g/mol
LogP1.14
Rot. Bonds2

About (NZ)-N-(2-amino-1,3-thiazol-4-ylidene)-4-methylbenzenesulfonamide

(NZ)-N-(2-amino-1,3-thiazol-4-ylidene)-4-methylbenzenesulfonamide (PubChem CID 24973844) has the molecular formula C10H11N3O2S2 and a molecular weight of 269.35 g/mol. Its IUPAC name is (NZ)-N-(2-amino-1,3-thiazol-4-ylidene)-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name(NZ)-N-(2-amino-1,3-thiazol-4-ylidene)-4-methylbenzenesulfonamide
PubChem CID24973844
Molecular FormulaC10H11N3O2S2
Molecular Weight269.35 g/mol
Exact Mass269.03
IUPAC Name(NZ)-N-(2-amino-1,3-thiazol-4-ylidene)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)/N=C2/CSC(N)=N2)cc1
InChIInChI=1S/C10H11N3O2S2/c1-7-2-4-8(5-3-7)17(14,15)13-9-6-16-10(11)12-9/h2-5H,6H2,1H3,(H2,11,12,13)
InChIKeyWQMPVTFESZYFRV-UHFFFAOYSA-N
XLogP1.14
TPSA84.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(5E)-4-methyl-5-(4-methylphenyl)sulfonylimino-1,3,4-thiadiazole-2-sulfonamide
CID 10807668
(NZ)-4-methyl-N-[4-oxo-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-2-ylidene]benzenesulfonamide
CID 135659588
4-[(4-methylphenyl)sulfonylmethyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 141046498
4-methyl-N-[(1R,2R,11R,12R)-10-(4-methylphenyl)sulfonylimino-3-tetracyclo[10.2.2.02,11.04,9]hexadeca-4,6,8,13-tetraenylidene]benzenesulfonamide
CID 100712092
(NE)-4-methyl-N-(oxan-2-ylidene)benzenesulfonamide
CID 6144298
N-(3,4-dimethyl-1,3-thiazol-2-ylidene)-4-methylbenzenesulfonamide
CID 3719225
(NE)-N-[(E)-but-2-enylidene]-4-methylbenzenesulfonamide
CID 177419048
N-(5-benzylidene-4-oxo-1,3-thiazolidin-2-ylidene)-4-methylbenzenesulfonamide
CID 135408126
4-methyl-N-(1-methylpiperidin-2-ylidene)benzenesulfonamide
CID 3022075
methanamine;bis(1-methyl-4-(4-methylphenyl)sulfonylbenzene)
CID 23341933
(NE)-4-methyl-N-(1-propan-2-ylazepan-2-ylidene)benzenesulfonamide
CID 162651850
(NE)-4-methyl-N-[2-tri(propan-2-yl)silylcyclopent-2-en-1-ylidene]benzenesulfonamide
CID 46197395

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-(2-amino-1,3-thiazol-4-ylidene)-4-methylbenzenesulfonamide?
The IUPAC name of (NZ)-N-(2-amino-1,3-thiazol-4-ylidene)-4-methylbenzenesulfonamide (CID 24973844) is (NZ)-N-(2-amino-1,3-thiazol-4-ylidene)-4-methylbenzenesulfonamide.
What is the SMILES notation for (NZ)-N-(2-amino-1,3-thiazol-4-ylidene)-4-methylbenzenesulfonamide?
The canonical SMILES for (NZ)-N-(2-amino-1,3-thiazol-4-ylidene)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)/N=C2/CSC(N)=N2)cc1.
What is the InChIKey of (NZ)-N-(2-amino-1,3-thiazol-4-ylidene)-4-methylbenzenesulfonamide?
The InChIKey is WQMPVTFESZYFRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2S2/c1-7-2-4-8(5-3-7)17(14,15)13-9-6-16-10(11)12-9/h2-5H,6H2,1H3,(H2,11,12,13).
What are the key properties of (NZ)-N-(2-amino-1,3-thiazol-4-ylidene)-4-methylbenzenesulfonamide?
(NZ)-N-(2-amino-1,3-thiazol-4-ylidene)-4-methylbenzenesulfonamide has a molecular weight of 269.35 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-(2-amino-1,3-thiazol-4-ylidene)-4-methylbenzenesulfonamide is sourced from PubChem (CID 24973844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).