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

C12H14N2O2S2 — CID 3719225

IUPACN-(3,4-dimethyl-1,3-thiazol-2-ylidene)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N=c2scc(C)n2C)cc1
InChIInChI=1S/C12H14N2O2S2/c1-9-4-6-11(7-5-9)18(15,16)13-12-14(3)10(2)8-17-12/h4-8H,1-3H3
InChIKeyHBZOSKXGMCNOTE-UHFFFAOYSA-N
MW282.39 g/mol
LogP1.99
Rot. Bonds2

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

N-(3,4-dimethyl-1,3-thiazol-2-ylidene)-4-methylbenzenesulfonamide (PubChem CID 3719225) has the molecular formula C12H14N2O2S2 and a molecular weight of 282.39 g/mol. Its IUPAC name is N-(3,4-dimethyl-1,3-thiazol-2-ylidene)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3,4-dimethyl-1,3-thiazol-2-ylidene)-4-methylbenzenesulfonamide
PubChem CID3719225
Molecular FormulaC12H14N2O2S2
Molecular Weight282.39 g/mol
Exact Mass282.05
IUPAC NameN-(3,4-dimethyl-1,3-thiazol-2-ylidene)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N=c2scc(C)n2C)cc1
InChIInChI=1S/C12H14N2O2S2/c1-9-4-6-11(7-5-9)18(15,16)13-12-14(3)10(2)8-17-12/h4-8H,1-3H3
InChIKeyHBZOSKXGMCNOTE-UHFFFAOYSA-N
XLogP1.99
TPSA51.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiaz_ene_A(128)', 'substructure': 'N/A'}

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Related Compounds

(5E)-4-methyl-5-(4-methylphenyl)sulfonylimino-1,3,4-thiadiazole-2-sulfonamide
CID 10807668
4-methyl-N-(7-methyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)benzenesulfonamide
CID 40849610
4-methyl-N-(3-methyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)benzenesulfonamide
CID 40849614
N-[4-(4-methoxyphenyl)-3-methyl-5-phenyl-1,3-thiazol-2-ylidene]-4-methylbenzenesulfonamide
CID 126200501
3-methyl-N-(4-methylphenyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-2-imine;hydrobromide
CID 126478313
4-methyl-N-(1-methylpiperidin-2-ylidene)benzenesulfonamide
CID 3022075
N-(3-ethyl-5,7-dimethyl-1,3-benzothiazol-2-ylidene)-4-methylbenzenesulfonamide
CID 40849508
N-diazo-4-methylbenzenesulfonamide
CID 13661
(NE)-4-methyl-N-(6-methylidenecyclohexa-2,4-dien-1-ylidene)benzenesulfonamide
CID 134860389
(NZ)-N-[3-(2-methoxyethyl)-5,6-dimethyl-1,3-benzothiazol-2-ylidene]-4-methylbenzenesulfonamide
CID 16937336
N-[3-(2-methoxyethyl)-5,7-dimethyl-1,3-benzothiazol-2-ylidene]-4-methylbenzenesulfonamide
CID 40849518
N-[(4E)-3,4-bis(benzenesulfonylimino)-6-[(4-methylphenyl)sulfonylamino]cyclohexa-1,5-dien-1-yl]-4-methylbenzenesulfonamide
CID 21240674

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethyl-1,3-thiazol-2-ylidene)-4-methylbenzenesulfonamide?
The IUPAC name of N-(3,4-dimethyl-1,3-thiazol-2-ylidene)-4-methylbenzenesulfonamide (CID 3719225) is N-(3,4-dimethyl-1,3-thiazol-2-ylidene)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(3,4-dimethyl-1,3-thiazol-2-ylidene)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(3,4-dimethyl-1,3-thiazol-2-ylidene)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N=c2scc(C)n2C)cc1.
What is the InChIKey of N-(3,4-dimethyl-1,3-thiazol-2-ylidene)-4-methylbenzenesulfonamide?
The InChIKey is HBZOSKXGMCNOTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2S2/c1-9-4-6-11(7-5-9)18(15,16)13-12-14(3)10(2)8-17-12/h4-8H,1-3H3.
What are the key properties of N-(3,4-dimethyl-1,3-thiazol-2-ylidene)-4-methylbenzenesulfonamide?
N-(3,4-dimethyl-1,3-thiazol-2-ylidene)-4-methylbenzenesulfonamide has a molecular weight of 282.39 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethyl-1,3-thiazol-2-ylidene)-4-methylbenzenesulfonamide is sourced from PubChem (CID 3719225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).