N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]acetamide

C10H11N3OS — CID 6089291

IUPACN-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]acetamide
SMILESCC(=O)N/N=c1\sc2ccccc2n1C
InChIInChI=1S/C10H11N3OS/c1-7(14)11-12-10-13(2)8-5-3-4-6-9(8)15-10/h3-6H,1-2H3,(H,11,14)/b12-10-
InChIKeyZSEIJSLPBSZHGM-BENRWUELSA-N
MW221.28 g/mol
LogP1.19
Rot. Bonds1

About N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]acetamide

N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]acetamide (PubChem CID 6089291) has the molecular formula C10H11N3OS and a molecular weight of 221.28 g/mol. Its IUPAC name is N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]acetamide.

Molecular Properties

Compound NameN-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]acetamide
PubChem CID6089291
Molecular FormulaC10H11N3OS
Molecular Weight221.28 g/mol
Exact Mass221.06
IUPAC NameN-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]acetamide
SMILESCC(=O)N/N=c1\sc2ccccc2n1C
InChIInChI=1S/C10H11N3OS/c1-7(14)11-12-10-13(2)8-5-3-4-6-9(8)15-10/h3-6H,1-2H3,(H,11,14)/b12-10-
InChIKeyZSEIJSLPBSZHGM-BENRWUELSA-N
XLogP1.19
TPSA46.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-Methyl-2-benzothiazolone hydrazone hydrochloride
CID 9575839
3-methylbenzothiazol-2(3H)-one hydrazone
CID 14319
3-Methyl-2-benzothiazolinone hydrazone hydrochloride
CID 78041
3-Methyl-1,3-benzothiazol-2(3H)-imine
CID 84642
2-methyl-2H-[1,2,4]triazino[3,4-b][1,3]benzothiazole-3,4-dione
CID 2816635
3-Methyl-2-benzothiazolone hydrazone
CID 5782694
3-Methyl-2-benzothiazolinone hydrazone hydrochloride monohydrate
CID 6364530
2-chloro-N-(3-methyl-1,3-benzothiazol-2-ylidene)acetamide
CID 3685735
(E)-N'-(3-methylbenzo[d]thiazol-2(3H)-ylidene)cyclohexanecarbohydrazide
CID 5842584
N'-[(2E)-3-methyl-1,3-benzothiazol-2(3H)-ylidene]propanohydrazide
CID 5968519
N-(3-methyl-1,3-benzothiazol-2-ylidene)acetamide
CID 656374
N-[(5Z)-5-(3-methyl-1,3-benzothiazol-2(3H)-ylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetamide
CID 1730662

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]acetamide?
The IUPAC name of N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]acetamide (CID 6089291) is N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]acetamide.
What is the SMILES notation for N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]acetamide?
The canonical SMILES for N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]acetamide is CC(=O)N/N=c1\sc2ccccc2n1C.
What is the InChIKey of N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]acetamide?
The InChIKey is ZSEIJSLPBSZHGM-BENRWUELSA-N. The full InChI is InChI=1S/C10H11N3OS/c1-7(14)11-12-10-13(2)8-5-3-4-6-9(8)15-10/h3-6H,1-2H3,(H,11,14)/b12-10-.
What are the key properties of N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]acetamide?
N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]acetamide has a molecular weight of 221.28 g/mol, XLogP of 1.19, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]acetamide is sourced from PubChem (CID 6089291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).