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

C11H12N2OS — CID 4168032

IUPACN-(3-ethyl-1,3-benzothiazol-2-ylidene)acetamide
SMILESCCn1/c(=N/C(C)=O)sc2ccccc21
InChIInChI=1S/C11H12N2OS/c1-3-13-9-6-4-5-7-10(9)15-11(13)12-8(2)14/h4-7H,3H2,1-2H3/b12-11-
InChIKeyXTFJFAAPEZCSJN-QXMHVHEDSA-N
MW220.30 g/mol
LogP2.17
Rot. Bonds1

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

N-(3-ethyl-1,3-benzothiazol-2-ylidene)acetamide (PubChem CID 4168032) has the molecular formula C11H12N2OS and a molecular weight of 220.30 g/mol. Its IUPAC name is N-(3-ethyl-1,3-benzothiazol-2-ylidene)acetamide.

Molecular Properties

Compound NameN-(3-ethyl-1,3-benzothiazol-2-ylidene)acetamide
PubChem CID4168032
Molecular FormulaC11H12N2OS
Molecular Weight220.30 g/mol
Exact Mass220.07
IUPAC NameN-(3-ethyl-1,3-benzothiazol-2-ylidene)acetamide
SMILESCCn1/c(=N/C(C)=O)sc2ccccc21
InChIInChI=1S/C11H12N2OS/c1-3-13-9-6-4-5-7-10(9)15-11(13)12-8(2)14/h4-7H,3H2,1-2H3/b12-11-
InChIKeyXTFJFAAPEZCSJN-QXMHVHEDSA-N
XLogP2.17
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(3-ethyl-1,3-benzothiazol-2-ylidene)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 6089291
CID 6089291
CID 9575839
CID 9575839
CID 14319
CID 14319
CID 78041
CID 78041
CID 84642
CID 84642
CID 689052
CID 689052
CID 714693
CID 714693
CID 2151125
CID 2151125
CID 2312355
CID 2312355
CID 2816635
CID 2816635
CID 76031
CID 76031
CID 5782694
CID 5782694

Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-1,3-benzothiazol-2-ylidene)acetamide?
The IUPAC name of N-(3-ethyl-1,3-benzothiazol-2-ylidene)acetamide (CID 4168032) is N-(3-ethyl-1,3-benzothiazol-2-ylidene)acetamide.
What is the SMILES notation for N-(3-ethyl-1,3-benzothiazol-2-ylidene)acetamide?
The canonical SMILES for N-(3-ethyl-1,3-benzothiazol-2-ylidene)acetamide is CCn1/c(=N/C(C)=O)sc2ccccc21.
What is the InChIKey of N-(3-ethyl-1,3-benzothiazol-2-ylidene)acetamide?
The InChIKey is XTFJFAAPEZCSJN-QXMHVHEDSA-N. The full InChI is InChI=1S/C11H12N2OS/c1-3-13-9-6-4-5-7-10(9)15-11(13)12-8(2)14/h4-7H,3H2,1-2H3/b12-11-.
What are the key properties of N-(3-ethyl-1,3-benzothiazol-2-ylidene)acetamide?
N-(3-ethyl-1,3-benzothiazol-2-ylidene)acetamide has a molecular weight of 220.30 g/mol, XLogP of 2.17, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-1,3-benzothiazol-2-ylidene)acetamide is sourced from PubChem (CID 4168032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).