N-(6-methyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)naphthalene-2-carboxamide

C22H18N2OS — CID 5054088

IUPACN-(6-methyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)naphthalene-2-carboxamide
SMILESC=CCn1/c(=N/C(=O)c2ccc3ccccc3c2)sc2cc(C)ccc21
InChIInChI=1S/C22H18N2OS/c1-3-12-24-19-11-8-15(2)13-20(19)26-22(24)23-21(25)18-10-9-16-6-4-5-7-17(16)14-18/h3-11,13-14H,1,12H2,2H3/b23-22-
InChIKeyIINLYXAOIVSKMK-FCQUAONHSA-N
MW358.47 g/mol
LogP5.09
Rot. Bonds3

About N-(6-methyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)naphthalene-2-carboxamide

N-(6-methyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)naphthalene-2-carboxamide (PubChem CID 5054088) has the molecular formula C22H18N2OS and a molecular weight of 358.47 g/mol. Its IUPAC name is N-(6-methyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(6-methyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)naphthalene-2-carboxamide
PubChem CID5054088
Molecular FormulaC22H18N2OS
Molecular Weight358.47 g/mol
Exact Mass358.11
IUPAC NameN-(6-methyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)naphthalene-2-carboxamide
SMILESC=CCn1/c(=N/C(=O)c2ccc3ccccc3c2)sc2cc(C)ccc21
InChIInChI=1S/C22H18N2OS/c1-3-12-24-19-11-8-15(2)13-20(19)26-22(24)23-21(25)18-10-9-16-6-4-5-7-17(16)14-18/h3-11,13-14H,1,12H2,2H3/b23-22-
InChIKeyIINLYXAOIVSKMK-FCQUAONHSA-N
XLogP5.09
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.47
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-(6-methyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)imidazo[1,2-a]pyridine-3-carboxamide
CID 43943238
N-(6-fluoro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-3-methylbenzamide
CID 3657348
N-(6-ethoxy-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-3-methylbenzamide
CID 5081588
N-(5,6-dimethyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-4-methylbenzamide
CID 41016385
3,4,5-triethoxy-N-(6-methyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)benzamide
CID 3605897
N-(5,6-dimethyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-3-methylbenzamide
CID 41016387
methyl 2-(3,5-dimethylbenzoyl)imino-3-prop-2-enyl-1,3-benzothiazole-6-carboxylate
CID 43942597
N-(6-methoxy-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)benzamide
CID 3380936
N-(6-methyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-5-phenyl-1,2-oxazole-3-carboxamide
CID 43943231
N-(6-methyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 4295260
N-(6-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)naphthalene-2-carboxamide
CID 4186877
4-(2-ethylpiperidin-1-yl)sulfonyl-N-(6-methyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)benzamide
CID 5081007

Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)naphthalene-2-carboxamide?
The IUPAC name of N-(6-methyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)naphthalene-2-carboxamide (CID 5054088) is N-(6-methyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)naphthalene-2-carboxamide.
What is the SMILES notation for N-(6-methyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)naphthalene-2-carboxamide?
The canonical SMILES for N-(6-methyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)naphthalene-2-carboxamide is C=CCn1/c(=N/C(=O)c2ccc3ccccc3c2)sc2cc(C)ccc21.
What is the InChIKey of N-(6-methyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)naphthalene-2-carboxamide?
The InChIKey is IINLYXAOIVSKMK-FCQUAONHSA-N. The full InChI is InChI=1S/C22H18N2OS/c1-3-12-24-19-11-8-15(2)13-20(19)26-22(24)23-21(25)18-10-9-16-6-4-5-7-17(16)14-18/h3-11,13-14H,1,12H2,2H3/b23-22-.
What are the key properties of N-(6-methyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)naphthalene-2-carboxamide?
N-(6-methyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)naphthalene-2-carboxamide has a molecular weight of 358.47 g/mol, XLogP of 5.09, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)naphthalene-2-carboxamide is sourced from PubChem (CID 5054088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).