N-(3-ethyl-5,6-dimethoxy-1,3-benzothiazol-2-ylidene)naphthalene-1-carboxamide

C22H20N2O3S — CID 40951488

IUPACN-(3-ethyl-5,6-dimethoxy-1,3-benzothiazol-2-ylidene)naphthalene-1-carboxamide
SMILESCCn1/c(=N/C(=O)c2cccc3ccccc23)sc2cc(OC)c(OC)cc21
InChIInChI=1S/C22H20N2O3S/c1-4-24-17-12-18(26-2)19(27-3)13-20(17)28-22(24)23-21(25)16-11-7-9-14-8-5-6-10-15(14)16/h5-13H,4H2,1-3H3/b23-22-
InChIKeyXTWDGYOGVMLLSU-FCQUAONHSA-N
MW392.48 g/mol
LogP4.63
Rot. Bonds4

About N-(3-ethyl-5,6-dimethoxy-1,3-benzothiazol-2-ylidene)naphthalene-1-carboxamide

N-(3-ethyl-5,6-dimethoxy-1,3-benzothiazol-2-ylidene)naphthalene-1-carboxamide (PubChem CID 40951488) has the molecular formula C22H20N2O3S and a molecular weight of 392.48 g/mol. Its IUPAC name is N-(3-ethyl-5,6-dimethoxy-1,3-benzothiazol-2-ylidene)naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-(3-ethyl-5,6-dimethoxy-1,3-benzothiazol-2-ylidene)naphthalene-1-carboxamide
PubChem CID40951488
Molecular FormulaC22H20N2O3S
Molecular Weight392.48 g/mol
Exact Mass392.12
IUPAC NameN-(3-ethyl-5,6-dimethoxy-1,3-benzothiazol-2-ylidene)naphthalene-1-carboxamide
SMILESCCn1/c(=N/C(=O)c2cccc3ccccc23)sc2cc(OC)c(OC)cc21
InChIInChI=1S/C22H20N2O3S/c1-4-24-17-12-18(26-2)19(27-3)13-20(17)28-22(24)23-21(25)16-11-7-9-14-8-5-6-10-15(14)16/h5-13H,4H2,1-3H3/b23-22-
InChIKeyXTWDGYOGVMLLSU-FCQUAONHSA-N
XLogP4.63
TPSA52.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-bromo-N-(3-ethyl-5,6-dimethoxy-1,3-benzothiazol-2-ylidene)benzamide
CID 41092042
N-(3-ethyl-5,6-dimethoxy-1,3-benzothiazol-2-ylidene)-2-naphthalen-1-ylacetamide
CID 40951521
N-(3-ethyl-4-methoxy-1,3-benzothiazol-2-ylidene)naphthalene-1-carboxamide
CID 4990819
N-(6-bromo-3-ethyl-1,3-benzothiazol-2-ylidene)naphthalene-1-carboxamide
CID 3407742
N-(3-ethyl-5,6-dimethoxy-1,3-benzothiazol-2-ylidene)-4-oxochromene-3-carboxamide
CID 43979320
N-(7-ethyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)naphthalene-1-carboxamide
CID 42388210
2-chloro-N-(5,6-dimethoxy-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
CID 41134027
5-bromo-N-(3-ethyl-5,6-dimethoxy-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide
CID 41092228
4-benzyl-N-(3-ethyl-5,6-dimethoxy-1,3-benzothiazol-2-ylidene)benzamide
CID 43979330
ethyl 2-[5,6-dimethoxy-2-(3-methoxynaphthalene-2-carbonyl)imino-1,3-benzothiazol-3-yl]acetate
CID 40951604
N-(6-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)-2-methoxybenzamide
CID 3453349
methyl 2-[[3-(2-ethoxy-2-oxoethyl)-5,6-dimethoxy-1,3-benzothiazol-2-ylidene]carbamoyl]benzoate
CID 43979558

Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-5,6-dimethoxy-1,3-benzothiazol-2-ylidene)naphthalene-1-carboxamide?
The IUPAC name of N-(3-ethyl-5,6-dimethoxy-1,3-benzothiazol-2-ylidene)naphthalene-1-carboxamide (CID 40951488) is N-(3-ethyl-5,6-dimethoxy-1,3-benzothiazol-2-ylidene)naphthalene-1-carboxamide.
What is the SMILES notation for N-(3-ethyl-5,6-dimethoxy-1,3-benzothiazol-2-ylidene)naphthalene-1-carboxamide?
The canonical SMILES for N-(3-ethyl-5,6-dimethoxy-1,3-benzothiazol-2-ylidene)naphthalene-1-carboxamide is CCn1/c(=N/C(=O)c2cccc3ccccc23)sc2cc(OC)c(OC)cc21.
What is the InChIKey of N-(3-ethyl-5,6-dimethoxy-1,3-benzothiazol-2-ylidene)naphthalene-1-carboxamide?
The InChIKey is XTWDGYOGVMLLSU-FCQUAONHSA-N. The full InChI is InChI=1S/C22H20N2O3S/c1-4-24-17-12-18(26-2)19(27-3)13-20(17)28-22(24)23-21(25)16-11-7-9-14-8-5-6-10-15(14)16/h5-13H,4H2,1-3H3/b23-22-.
What are the key properties of N-(3-ethyl-5,6-dimethoxy-1,3-benzothiazol-2-ylidene)naphthalene-1-carboxamide?
N-(3-ethyl-5,6-dimethoxy-1,3-benzothiazol-2-ylidene)naphthalene-1-carboxamide has a molecular weight of 392.48 g/mol, XLogP of 4.63, 4 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)naphthalene-1-carboxamide is sourced from PubChem (CID 40951488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).