(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)hydrazine

C10H13N3OS — CID 54058185

IUPAC(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)hydrazine
SMILESCCOc1ccc2c(c1)sc(=NN)n2C
InChIInChI=1S/C10H13N3OS/c1-3-14-7-4-5-8-9(6-7)15-10(12-11)13(8)2/h4-6H,3,11H2,1-2H3
InChIKeyLXTQEBJJIZFQMX-UHFFFAOYSA-N
MW223.30 g/mol
LogP1.41
Rot. Bonds2

About (6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)hydrazine

(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)hydrazine (PubChem CID 54058185) has the molecular formula C10H13N3OS and a molecular weight of 223.30 g/mol. Its IUPAC name is (6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)hydrazine.

Molecular Properties

Compound Name(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)hydrazine
PubChem CID54058185
Molecular FormulaC10H13N3OS
Molecular Weight223.30 g/mol
Exact Mass223.08
IUPAC Name(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)hydrazine
SMILESCCOc1ccc2c(c1)sc(=NN)n2C
InChIInChI=1S/C10H13N3OS/c1-3-14-7-4-5-8-9(6-7)15-10(12-11)13(8)2/h4-6H,3,11H2,1-2H3
InChIKeyLXTQEBJJIZFQMX-UHFFFAOYSA-N
XLogP1.41
TPSA52.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-acetylsulfonyl-N-(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)acetamide
CID 3442346
N-(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-2-methylsulfanylbenzamide
CID 40694887
(E)-N-(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-3-phenylprop-2-enamide
CID 2329553
ethyl 4-[2-[2-[(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)amino]-2-oxoethyl]sulfonylacetyl]piperazine-1-carboxylate
CID 3434525
3-(4-chlorophenyl)sulfonyl-N-(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)propanamide
CID 40951686
2-[(E)-[(Z)-(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)hydrazinylidene]methyl]-6-methoxyphenol
CID 135618876
2-[(Z)-[(Z)-(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)hydrazinylidene]methyl]-6-methoxyphenol
CID 136690376
N-(6-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-4-ethoxybenzamide
CID 3279559
4-ethoxy-N-(3-methyl-6-propan-2-yl-1,3-benzothiazol-2-ylidene)benzamide
CID 41235714
N-(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-4-[methyl(phenyl)sulfamoyl]benzamide
CID 2152656
4-[(4-chlorophenyl)sulfonylamino]-N-(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)benzamide
CID 121044724
5-chloro-N-[6-ethoxy-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]thiophene-2-sulfonamide
CID 40892570

Frequently Asked Questions

What is the IUPAC name of (6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)hydrazine?
The IUPAC name of (6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)hydrazine (CID 54058185) is (6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)hydrazine.
What is the SMILES notation for (6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)hydrazine?
The canonical SMILES for (6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)hydrazine is CCOc1ccc2c(c1)sc(=NN)n2C.
What is the InChIKey of (6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)hydrazine?
The InChIKey is LXTQEBJJIZFQMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3OS/c1-3-14-7-4-5-8-9(6-7)15-10(12-11)13(8)2/h4-6H,3,11H2,1-2H3.
What are the key properties of (6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)hydrazine?
(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)hydrazine has a molecular weight of 223.30 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)hydrazine is sourced from PubChem (CID 54058185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).