N-(3-ethyl-5,6-dimethoxy-1,3-benzothiazol-2-ylidene)-2-(4-propan-2-ylphenyl)acetamide

C22H26N2O3S — CID 41362843

IUPACN-(3-ethyl-5,6-dimethoxy-1,3-benzothiazol-2-ylidene)-2-(4-propan-2-ylphenyl)acetamide
SMILESCCn1/c(=N/C(=O)Cc2ccc(C(C)C)cc2)sc2cc(OC)c(OC)cc21
InChIInChI=1S/C22H26N2O3S/c1-6-24-17-12-18(26-4)19(27-5)13-20(17)28-22(24)23-21(25)11-15-7-9-16(10-8-15)14(2)3/h7-10,12-14H,6,11H2,1-5H3/b23-22-
InChIKeyGCAHGGGRRHWLFM-FCQUAONHSA-N
MW398.53 g/mol
LogP4.53
Rot. Bonds6

About N-(3-ethyl-5,6-dimethoxy-1,3-benzothiazol-2-ylidene)-2-(4-propan-2-ylphenyl)acetamide

N-(3-ethyl-5,6-dimethoxy-1,3-benzothiazol-2-ylidene)-2-(4-propan-2-ylphenyl)acetamide (PubChem CID 41362843) has the molecular formula C22H26N2O3S and a molecular weight of 398.53 g/mol. Its IUPAC name is N-(3-ethyl-5,6-dimethoxy-1,3-benzothiazol-2-ylidene)-2-(4-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound NameN-(3-ethyl-5,6-dimethoxy-1,3-benzothiazol-2-ylidene)-2-(4-propan-2-ylphenyl)acetamide
PubChem CID41362843
Molecular FormulaC22H26N2O3S
Molecular Weight398.53 g/mol
Exact Mass398.17
IUPAC NameN-(3-ethyl-5,6-dimethoxy-1,3-benzothiazol-2-ylidene)-2-(4-propan-2-ylphenyl)acetamide
SMILESCCn1/c(=N/C(=O)Cc2ccc(C(C)C)cc2)sc2cc(OC)c(OC)cc21
InChIInChI=1S/C22H26N2O3S/c1-6-24-17-12-18(26-4)19(27-5)13-20(17)28-22(24)23-21(25)11-15-7-9-16(10-8-15)14(2)3/h7-10,12-14H,6,11H2,1-5H3/b23-22-
InChIKeyGCAHGGGRRHWLFM-FCQUAONHSA-N
XLogP4.53
TPSA52.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.53
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5,6-dimethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-(4-propan-2-ylphenyl)acetamide
CID 41362748
N-(3-ethyl-6-propan-2-yl-1,3-benzothiazol-2-ylidene)-2-(4-methoxy-3-methylphenyl)acetamide
CID 16848405
N-(3-ethyl-5,6-dimethoxy-1,3-benzothiazol-2-ylidene)-2-thiophen-2-ylacetamide
CID 41340186
N-(3-ethyl-4-methoxy-7-methyl-1,3-benzothiazol-2-ylidene)-2-(4-propan-2-ylphenyl)acetamide
CID 41362730
N-(3-ethyl-5,6-dimethoxy-1,3-benzothiazol-2-ylidene)-2-naphthalen-1-ylacetamide
CID 40951521
N-[5,6-dimethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-(4-methylsulfanylphenyl)acetamide
CID 42525126
N-(5,6-dimethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-(4-fluorophenyl)acetamide
CID 40518958
ethyl 2-[5,6-dimethoxy-2-[2-(4-methylsulfanylphenyl)acetyl]imino-1,3-benzothiazol-3-yl]acetate
CID 42525125
methyl 2-[2-[2-(4-ethylsulfonylphenyl)acetyl]imino-5,6-dimethoxy-1,3-benzothiazol-3-yl]acetate
CID 41126978
2-(4-chlorophenoxy)-N-(3-ethyl-5,6-dimethoxy-1,3-benzothiazol-2-ylidene)acetamide
CID 40508911
N-(5,6-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-2-phenylacetamide
CID 40509023
methyl 2-[6-chloro-2-[2-(4-propan-2-ylphenyl)acetyl]imino-1,3-benzothiazol-3-yl]acetate
CID 41362671

Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-5,6-dimethoxy-1,3-benzothiazol-2-ylidene)-2-(4-propan-2-ylphenyl)acetamide?
The IUPAC name of N-(3-ethyl-5,6-dimethoxy-1,3-benzothiazol-2-ylidene)-2-(4-propan-2-ylphenyl)acetamide (CID 41362843) is N-(3-ethyl-5,6-dimethoxy-1,3-benzothiazol-2-ylidene)-2-(4-propan-2-ylphenyl)acetamide.
What is the SMILES notation for N-(3-ethyl-5,6-dimethoxy-1,3-benzothiazol-2-ylidene)-2-(4-propan-2-ylphenyl)acetamide?
The canonical SMILES for N-(3-ethyl-5,6-dimethoxy-1,3-benzothiazol-2-ylidene)-2-(4-propan-2-ylphenyl)acetamide is CCn1/c(=N/C(=O)Cc2ccc(C(C)C)cc2)sc2cc(OC)c(OC)cc21.
What is the InChIKey of N-(3-ethyl-5,6-dimethoxy-1,3-benzothiazol-2-ylidene)-2-(4-propan-2-ylphenyl)acetamide?
The InChIKey is GCAHGGGRRHWLFM-FCQUAONHSA-N. The full InChI is InChI=1S/C22H26N2O3S/c1-6-24-17-12-18(26-4)19(27-5)13-20(17)28-22(24)23-21(25)11-15-7-9-16(10-8-15)14(2)3/h7-10,12-14H,6,11H2,1-5H3/b23-22-.
What are the key properties of N-(3-ethyl-5,6-dimethoxy-1,3-benzothiazol-2-ylidene)-2-(4-propan-2-ylphenyl)acetamide?
N-(3-ethyl-5,6-dimethoxy-1,3-benzothiazol-2-ylidene)-2-(4-propan-2-ylphenyl)acetamide has a molecular weight of 398.53 g/mol, XLogP of 4.53, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-5,6-dimethoxy-1,3-benzothiazol-2-ylidene)-2-(4-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 41362843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).