N-(6-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)-2-(2-methoxy-5-methylphenyl)acetamide

C19H19ClN2O2S — CID 16912954

IUPACN-(6-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)-2-(2-methoxy-5-methylphenyl)acetamide
SMILESCCn1/c(=N/C(=O)Cc2cc(C)ccc2OC)sc2cc(Cl)ccc21
InChIInChI=1S/C19H19ClN2O2S/c1-4-22-15-7-6-14(20)11-17(15)25-19(22)21-18(23)10-13-9-12(2)5-8-16(13)24-3/h5-9,11H,4,10H2,1-3H3/b21-19-
InChIKeyFGMSKHNGVHHLKN-VZCXRCSSSA-N
MW374.89 g/mol
LogP4.36
Rot. Bonds4

About N-(6-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)-2-(2-methoxy-5-methylphenyl)acetamide

N-(6-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)-2-(2-methoxy-5-methylphenyl)acetamide (PubChem CID 16912954) has the molecular formula C19H19ClN2O2S and a molecular weight of 374.89 g/mol. Its IUPAC name is N-(6-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)-2-(2-methoxy-5-methylphenyl)acetamide.

Molecular Properties

Compound NameN-(6-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)-2-(2-methoxy-5-methylphenyl)acetamide
PubChem CID16912954
Molecular FormulaC19H19ClN2O2S
Molecular Weight374.89 g/mol
Exact Mass374.09
IUPAC NameN-(6-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)-2-(2-methoxy-5-methylphenyl)acetamide
SMILESCCn1/c(=N/C(=O)Cc2cc(C)ccc2OC)sc2cc(Cl)ccc21
InChIInChI=1S/C19H19ClN2O2S/c1-4-22-15-7-6-14(20)11-17(15)25-19(22)21-18(23)10-13-9-12(2)5-8-16(13)24-3/h5-9,11H,4,10H2,1-3H3/b21-19-
InChIKeyFGMSKHNGVHHLKN-VZCXRCSSSA-N
XLogP4.36
TPSA43.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.89
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-chloro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-(2-methoxy-5-methylphenyl)acetamide
CID 16912988
methyl 2-[2-(2-methoxy-5-methylphenyl)acetyl]imino-3-(2-methoxy-2-oxoethyl)-1,3-benzothiazole-6-carboxylate
CID 16913016
N-(6-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)-2-methoxybenzamide
CID 3453349
N-[6-chloro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-(2,4-dimethylphenyl)acetamide
CID 41019322
N-(3-ethyl-4-methoxy-7-methyl-1,3-benzothiazol-2-ylidene)-2-(2-methoxy-5-methylphenyl)acetamide
CID 16913075
methyl 2-[2-[2-(2-methoxy-5-methylphenyl)acetyl]imino-6-methylsulfanyl-1,3-benzothiazol-3-yl]acetate
CID 16913108
N-[6-acetamido-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-2-(2-methoxy-5-methylphenyl)acetamide
CID 16913007
N-[3-(2-ethoxyethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]-2-(2-methoxy-5-methylphenyl)acetamide
CID 16913006
N,N'-bis(6-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)decanediamide
CID 4289489
ethyl 2-[6-chloro-2-(5-chloro-2-methoxybenzoyl)imino-1,3-benzothiazol-3-yl]acetate
CID 43940393
2-(2,5-dimethylphenyl)-N-(6-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)acetamide
CID 41342601
2-(3,4-dimethylphenyl)-N-(3-ethyl-6-methyl-1,3-benzothiazol-2-ylidene)acetamide
CID 41342810

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)-2-(2-methoxy-5-methylphenyl)acetamide?
The IUPAC name of N-(6-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)-2-(2-methoxy-5-methylphenyl)acetamide (CID 16912954) is N-(6-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)-2-(2-methoxy-5-methylphenyl)acetamide.
What is the SMILES notation for N-(6-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)-2-(2-methoxy-5-methylphenyl)acetamide?
The canonical SMILES for N-(6-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)-2-(2-methoxy-5-methylphenyl)acetamide is CCn1/c(=N/C(=O)Cc2cc(C)ccc2OC)sc2cc(Cl)ccc21.
What is the InChIKey of N-(6-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)-2-(2-methoxy-5-methylphenyl)acetamide?
The InChIKey is FGMSKHNGVHHLKN-VZCXRCSSSA-N. The full InChI is InChI=1S/C19H19ClN2O2S/c1-4-22-15-7-6-14(20)11-17(15)25-19(22)21-18(23)10-13-9-12(2)5-8-16(13)24-3/h5-9,11H,4,10H2,1-3H3/b21-19-.
What are the key properties of N-(6-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)-2-(2-methoxy-5-methylphenyl)acetamide?
N-(6-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)-2-(2-methoxy-5-methylphenyl)acetamide has a molecular weight of 374.89 g/mol, XLogP of 4.36, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)-2-(2-methoxy-5-methylphenyl)acetamide is sourced from PubChem (CID 16912954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).