N-(3-methyl-1,3-benzothiazol-2-ylidene)acetamide

C10H10N2OS — CID 656374

IUPACN-(3-methyl-1,3-benzothiazol-2-ylidene)acetamide
SMILESCC(=O)/N=c1\sc2ccccc2n1C
InChIInChI=1S/C10H10N2OS/c1-7(13)11-10-12(2)8-5-3-4-6-9(8)14-10/h3-6H,1-2H3/b11-10-
InChIKeyJIUOEOLNXVBEFE-KHPPLWFESA-N
MW206.27 g/mol
LogP1.69
Rot. Bonds

About N-(3-methyl-1,3-benzothiazol-2-ylidene)acetamide

N-(3-methyl-1,3-benzothiazol-2-ylidene)acetamide (PubChem CID 656374) has the molecular formula C10H10N2OS and a molecular weight of 206.27 g/mol. Its IUPAC name is N-(3-methyl-1,3-benzothiazol-2-ylidene)acetamide.

Molecular Properties

Compound NameN-(3-methyl-1,3-benzothiazol-2-ylidene)acetamide
PubChem CID656374
Molecular FormulaC10H10N2OS
Molecular Weight206.27 g/mol
Exact Mass206.05
IUPAC NameN-(3-methyl-1,3-benzothiazol-2-ylidene)acetamide
SMILESCC(=O)/N=c1\sc2ccccc2n1C
InChIInChI=1S/C10H10N2OS/c1-7(13)11-10-12(2)8-5-3-4-6-9(8)14-10/h3-6H,1-2H3/b11-10-
InChIKeyJIUOEOLNXVBEFE-KHPPLWFESA-N
XLogP1.69
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-Phenyl-[1,3,5]triazino[2,1-b][1,3]benzothiazole-2,4-dione
CID 2802078
N'-[(2E)-3-methyl-1,3-benzothiazol-2(3H)-ylidene]acetohydrazide
CID 6089291
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
3-Acetyl-2-benzothiazolone
CID 689052
8-methyl-2H-pyrimido[2,1-b][1,3]benzothiazol-2-one
CID 714693
(Z)-N-(4-fluoro-3-methylbenzo[d]thiazol-2(3H)-ylidene)pivalamide
CID 2151125
N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)cyclopropanecarboxamide
CID 2312355
2-methyl-2H-[1,2,4]triazino[3,4-b][1,3]benzothiazole-3,4-dione
CID 2816635
2(3H)-Benzothiazolone, 3-methyl-
CID 76031

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-1,3-benzothiazol-2-ylidene)acetamide?
The IUPAC name of N-(3-methyl-1,3-benzothiazol-2-ylidene)acetamide (CID 656374) is N-(3-methyl-1,3-benzothiazol-2-ylidene)acetamide.
What is the SMILES notation for N-(3-methyl-1,3-benzothiazol-2-ylidene)acetamide?
The canonical SMILES for N-(3-methyl-1,3-benzothiazol-2-ylidene)acetamide is CC(=O)/N=c1\sc2ccccc2n1C.
What is the InChIKey of N-(3-methyl-1,3-benzothiazol-2-ylidene)acetamide?
The InChIKey is JIUOEOLNXVBEFE-KHPPLWFESA-N. The full InChI is InChI=1S/C10H10N2OS/c1-7(13)11-10-12(2)8-5-3-4-6-9(8)14-10/h3-6H,1-2H3/b11-10-.
What are the key properties of N-(3-methyl-1,3-benzothiazol-2-ylidene)acetamide?
N-(3-methyl-1,3-benzothiazol-2-ylidene)acetamide has a molecular weight of 206.27 g/mol, XLogP of 1.69, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-1,3-benzothiazol-2-ylidene)acetamide is sourced from PubChem (CID 656374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).