N-(3-ethyl-4-methoxy-1,3-benzothiazol-2-ylidene)naphthalene-1-carboxamide

C21H18N2O2S — CID 4990819

IUPACN-(3-ethyl-4-methoxy-1,3-benzothiazol-2-ylidene)naphthalene-1-carboxamide
SMILESCCn1/c(=N/C(=O)c2cccc3ccccc23)sc2cccc(OC)c21
InChIInChI=1S/C21H18N2O2S/c1-3-23-19-17(25-2)12-7-13-18(19)26-21(23)22-20(24)16-11-6-9-14-8-4-5-10-15(14)16/h4-13H,3H2,1-2H3/b22-21-
InChIKeyHMDCPXURNXNSFA-DQRAZIAOSA-N
MW362.45 g/mol
LogP4.63
Rot. Bonds3

About N-(3-ethyl-4-methoxy-1,3-benzothiazol-2-ylidene)naphthalene-1-carboxamide

N-(3-ethyl-4-methoxy-1,3-benzothiazol-2-ylidene)naphthalene-1-carboxamide (PubChem CID 4990819) has the molecular formula C21H18N2O2S and a molecular weight of 362.45 g/mol. Its IUPAC name is N-(3-ethyl-4-methoxy-1,3-benzothiazol-2-ylidene)naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-(3-ethyl-4-methoxy-1,3-benzothiazol-2-ylidene)naphthalene-1-carboxamide
PubChem CID4990819
Molecular FormulaC21H18N2O2S
Molecular Weight362.45 g/mol
Exact Mass362.11
IUPAC NameN-(3-ethyl-4-methoxy-1,3-benzothiazol-2-ylidene)naphthalene-1-carboxamide
SMILESCCn1/c(=N/C(=O)c2cccc3ccccc23)sc2cccc(OC)c21
InChIInChI=1S/C21H18N2O2S/c1-3-23-19-17(25-2)12-7-13-18(19)26-21(23)22-20(24)16-11-6-9-14-8-4-5-10-15(14)16/h4-13H,3H2,1-2H3/b22-21-
InChIKeyHMDCPXURNXNSFA-DQRAZIAOSA-N
XLogP4.63
TPSA43.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-ethyl-5,6-dimethoxy-1,3-benzothiazol-2-ylidene)naphthalene-1-carboxamide
CID 40951488
methyl 2-[4-methoxy-2-(2-methoxybenzoyl)imino-1,3-benzothiazol-3-yl]acetate
CID 7153753
N-(4-chloro-3-propyl-1,3-benzothiazol-2-ylidene)-2-methoxybenzamide
CID 41001431
2-chloro-N-(4-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 4187487
ethyl 2-[4-chloro-2-(naphthalene-1-carbonylimino)-1,3-benzothiazol-3-yl]acetate
CID 41204310
N-[3-(2-ethoxyethyl)-4-methoxy-1,3-benzothiazol-2-ylidene]-2-methylbenzamide
CID 41203157
N-[4-fluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]naphthalene-1-carboxamide
CID 4085699
2-iodo-N-(4-methoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide
CID 40886135
2-iodo-N-(4-methoxy-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)benzamide
CID 43944458
N-(4-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)-2-phenoxybenzamide
CID 4192621
N-(4-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-3-methoxynaphthalene-2-carboxamide
CID 3416076
N-(6-bromo-3-ethyl-1,3-benzothiazol-2-ylidene)naphthalene-1-carboxamide
CID 3407742

Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-4-methoxy-1,3-benzothiazol-2-ylidene)naphthalene-1-carboxamide?
The IUPAC name of N-(3-ethyl-4-methoxy-1,3-benzothiazol-2-ylidene)naphthalene-1-carboxamide (CID 4990819) is N-(3-ethyl-4-methoxy-1,3-benzothiazol-2-ylidene)naphthalene-1-carboxamide.
What is the SMILES notation for N-(3-ethyl-4-methoxy-1,3-benzothiazol-2-ylidene)naphthalene-1-carboxamide?
The canonical SMILES for N-(3-ethyl-4-methoxy-1,3-benzothiazol-2-ylidene)naphthalene-1-carboxamide is CCn1/c(=N/C(=O)c2cccc3ccccc23)sc2cccc(OC)c21.
What is the InChIKey of N-(3-ethyl-4-methoxy-1,3-benzothiazol-2-ylidene)naphthalene-1-carboxamide?
The InChIKey is HMDCPXURNXNSFA-DQRAZIAOSA-N. The full InChI is InChI=1S/C21H18N2O2S/c1-3-23-19-17(25-2)12-7-13-18(19)26-21(23)22-20(24)16-11-6-9-14-8-4-5-10-15(14)16/h4-13H,3H2,1-2H3/b22-21-.
What are the key properties of N-(3-ethyl-4-methoxy-1,3-benzothiazol-2-ylidene)naphthalene-1-carboxamide?
N-(3-ethyl-4-methoxy-1,3-benzothiazol-2-ylidene)naphthalene-1-carboxamide has a molecular weight of 362.45 g/mol, XLogP of 4.63, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-4-methoxy-1,3-benzothiazol-2-ylidene)naphthalene-1-carboxamide is sourced from PubChem (CID 4990819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).