N-(6-fluoro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-naphthalen-1-ylacetamide

C22H15FN2OS — CID 4247564

IUPACN-(6-fluoro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-naphthalen-1-ylacetamide
SMILESC#CCn1/c(=N/C(=O)Cc2cccc3ccccc23)sc2cc(F)ccc21
InChIInChI=1S/C22H15FN2OS/c1-2-12-25-19-11-10-17(23)14-20(19)27-22(25)24-21(26)13-16-8-5-7-15-6-3-4-9-18(15)16/h1,3-11,14H,12-13H2/b24-22-
InChIKeyHIRCIXLPVHYZCK-GYHWCHFESA-N
MW374.44 g/mol
LogP4.30
Rot. Bonds3

About N-(6-fluoro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-naphthalen-1-ylacetamide

N-(6-fluoro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-naphthalen-1-ylacetamide (PubChem CID 4247564) has the molecular formula C22H15FN2OS and a molecular weight of 374.44 g/mol. Its IUPAC name is N-(6-fluoro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-naphthalen-1-ylacetamide.

Molecular Properties

Compound NameN-(6-fluoro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-naphthalen-1-ylacetamide
PubChem CID4247564
Molecular FormulaC22H15FN2OS
Molecular Weight374.44 g/mol
Exact Mass374.09
IUPAC NameN-(6-fluoro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-naphthalen-1-ylacetamide
SMILESC#CCn1/c(=N/C(=O)Cc2cccc3ccccc23)sc2cc(F)ccc21
InChIInChI=1S/C22H15FN2OS/c1-2-12-25-19-11-10-17(23)14-20(19)27-22(25)24-21(26)13-16-8-5-7-15-6-3-4-9-18(15)16/h1,3-11,14H,12-13H2/b24-22-
InChIKeyHIRCIXLPVHYZCK-GYHWCHFESA-N
XLogP4.30
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(6-methylsulfonyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-naphthalen-1-ylacetamide
CID 4526142
ethyl 2-(2-naphthalen-1-ylacetyl)imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate
CID 3400502
2-naphthalen-1-yl-N-(3-prop-2-ynylbenzo[g][1,3]benzothiazol-2-ylidene)acetamide
CID 43946435
N-(6-fluoro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-thiophen-2-ylacetamide
CID 41340062
N-(6-fluoro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-methylbutanamide
CID 43945088
N-(6-fluoro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-(3-methylphenoxy)acetamide
CID 43945110
N-(5-chloro-4-methyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-naphthalen-1-ylacetamide
CID 43946429
N-(6-fluoro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-oxobenzo[f]chromene-2-carboxamide
CID 3582438
3-bromo-N-(6-fluoro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide
CID 5093286
N-(6-bromo-3-propyl-1,3-benzothiazol-2-ylidene)-2-naphthalen-1-ylacetamide
CID 43984800
N-(6-fluoro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide
CID 4581047
2-(2,5-dimethylphenyl)-N-(6-methyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)acetamide
CID 41342685

Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-naphthalen-1-ylacetamide?
The IUPAC name of N-(6-fluoro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-naphthalen-1-ylacetamide (CID 4247564) is N-(6-fluoro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-naphthalen-1-ylacetamide.
What is the SMILES notation for N-(6-fluoro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-naphthalen-1-ylacetamide?
The canonical SMILES for N-(6-fluoro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-naphthalen-1-ylacetamide is C#CCn1/c(=N/C(=O)Cc2cccc3ccccc23)sc2cc(F)ccc21.
What is the InChIKey of N-(6-fluoro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-naphthalen-1-ylacetamide?
The InChIKey is HIRCIXLPVHYZCK-GYHWCHFESA-N. The full InChI is InChI=1S/C22H15FN2OS/c1-2-12-25-19-11-10-17(23)14-20(19)27-22(25)24-21(26)13-16-8-5-7-15-6-3-4-9-18(15)16/h1,3-11,14H,12-13H2/b24-22-.
What are the key properties of N-(6-fluoro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-naphthalen-1-ylacetamide?
N-(6-fluoro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-naphthalen-1-ylacetamide has a molecular weight of 374.44 g/mol, XLogP of 4.30, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluoro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-naphthalen-1-ylacetamide is sourced from PubChem (CID 4247564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).