2-(3,5-dimethylpyrazol-1-yl)-N-(7-ethyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)acetamide

C17H18N4O3S — CID 43978622

IUPAC2-(3,5-dimethylpyrazol-1-yl)-N-(7-ethyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)acetamide
SMILESCCn1/c(=N/C(=O)Cn2nc(C)cc2C)sc2cc3c(cc21)OCO3
InChIInChI=1S/C17H18N4O3S/c1-4-20-12-6-13-14(24-9-23-13)7-15(12)25-17(20)18-16(22)8-21-11(3)5-10(2)19-21/h5-7H,4,8-9H2,1-3H3/b18-17-
InChIKeyDMPQQDMJVQNBRL-ZCXUNETKSA-N
MW358.42 g/mol
LogP2.39
Rot. Bonds3

About 2-(3,5-dimethylpyrazol-1-yl)-N-(7-ethyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)acetamide

2-(3,5-dimethylpyrazol-1-yl)-N-(7-ethyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)acetamide (PubChem CID 43978622) has the molecular formula C17H18N4O3S and a molecular weight of 358.42 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)-N-(7-ethyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)acetamide.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)-N-(7-ethyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)acetamide
PubChem CID43978622
Molecular FormulaC17H18N4O3S
Molecular Weight358.42 g/mol
Exact Mass358.11
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)-N-(7-ethyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)acetamide
SMILESCCn1/c(=N/C(=O)Cn2nc(C)cc2C)sc2cc3c(cc21)OCO3
InChIInChI=1S/C17H18N4O3S/c1-4-20-12-6-13-14(24-9-23-13)7-15(12)25-17(20)18-16(22)8-21-11(3)5-10(2)19-21/h5-7H,4,8-9H2,1-3H3/b18-17-
InChIKeyDMPQQDMJVQNBRL-ZCXUNETKSA-N
XLogP2.39
TPSA70.64 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-(7-ethyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)-2-(4-fluorophenyl)acetamide
CID 42524828
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(7-ethyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)acetamide
CID 43978618
N-(3-ethyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)butanamide
CID 7154169
N-(7-ethyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)-2-(2-methylphenoxy)acetamide
CID 43978573
N-(7-ethyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)-2-propylpentanamide
CID 43978535
N-(7-ethyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)-2-(4-methoxyphenoxy)acetamide
CID 43978543
N-(7-ethyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)-4-phenylsulfanylbutanamide
CID 25406147
N-(7-ethyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)-2-fluorobenzamide
CID 7154142
methyl 2-[2-(3,5-dimethylpyrazol-1-yl)acetyl]imino-3-(2-methoxy-2-oxoethyl)-1,3-benzothiazole-6-carboxylate
CID 43940916
N-(7-ethyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)naphthalene-1-carboxamide
CID 42388210
4-benzylsulfonyl-N-(7-ethyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)butanamide
CID 42558277
N-(7-ethyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)-3-(4-methoxyphenyl)sulfonylpropanamide
CID 25408130

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-N-(7-ethyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)acetamide?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-N-(7-ethyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)acetamide (CID 43978622) is 2-(3,5-dimethylpyrazol-1-yl)-N-(7-ethyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)acetamide.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)-N-(7-ethyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)acetamide?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)-N-(7-ethyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)acetamide is CCn1/c(=N/C(=O)Cn2nc(C)cc2C)sc2cc3c(cc21)OCO3.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)-N-(7-ethyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)acetamide?
The InChIKey is DMPQQDMJVQNBRL-ZCXUNETKSA-N. The full InChI is InChI=1S/C17H18N4O3S/c1-4-20-12-6-13-14(24-9-23-13)7-15(12)25-17(20)18-16(22)8-21-11(3)5-10(2)19-21/h5-7H,4,8-9H2,1-3H3/b18-17-.
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)-N-(7-ethyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)acetamide?
2-(3,5-dimethylpyrazol-1-yl)-N-(7-ethyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)acetamide has a molecular weight of 358.42 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpyrazol-1-yl)-N-(7-ethyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)acetamide is sourced from PubChem (CID 43978622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).