N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)acetamide

C11H12N2OS — CID 2312317

IUPACN-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)acetamide
SMILESCC(=O)/N=c1\sc2cc(C)ccc2n1C
InChIInChI=1S/C11H12N2OS/c1-7-4-5-9-10(6-7)15-11(13(9)3)12-8(2)14/h4-6H,1-3H3/b12-11-
InChIKeyNMOXBGROJUWVKC-QXMHVHEDSA-N
MW220.30 g/mol
LogP2.00
Rot. Bonds

About N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)acetamide

N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)acetamide (PubChem CID 2312317) has the molecular formula C11H12N2OS and a molecular weight of 220.30 g/mol. Its IUPAC name is N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)acetamide.

Molecular Properties

Compound NameN-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)acetamide
PubChem CID2312317
Molecular FormulaC11H12N2OS
Molecular Weight220.30 g/mol
Exact Mass220.07
IUPAC NameN-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)acetamide
SMILESCC(=O)/N=c1\sc2cc(C)ccc2n1C
InChIInChI=1S/C11H12N2OS/c1-7-4-5-9-10(6-7)15-11(13(9)3)12-8(2)14/h4-6H,1-3H3/b12-11-
InChIKeyNMOXBGROJUWVKC-QXMHVHEDSA-N
XLogP2.00
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)acetamide?
The IUPAC name of N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)acetamide (CID 2312317) is N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)acetamide.
What is the SMILES notation for N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)acetamide?
The canonical SMILES for N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)acetamide is CC(=O)/N=c1\sc2cc(C)ccc2n1C.
What is the InChIKey of N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)acetamide?
The InChIKey is NMOXBGROJUWVKC-QXMHVHEDSA-N. The full InChI is InChI=1S/C11H12N2OS/c1-7-4-5-9-10(6-7)15-11(13(9)3)12-8(2)14/h4-6H,1-3H3/b12-11-.
What are the key properties of N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)acetamide?
N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)acetamide has a molecular weight of 220.30 g/mol, XLogP of 2.00, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)acetamide is sourced from PubChem (CID 2312317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).