N-(4-fluoro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)quinoxaline-2-carboxamide

C19H13FN4OS — CID 43943489

IUPACN-(4-fluoro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)quinoxaline-2-carboxamide
SMILESC=CCn1/c(=N/C(=O)c2cnc3ccccc3n2)sc2cccc(F)c21
InChIInChI=1S/C19H13FN4OS/c1-2-10-24-17-12(20)6-5-9-16(17)26-19(24)23-18(25)15-11-21-13-7-3-4-8-14(13)22-15/h2-9,11H,1,10H2/b23-19-
InChIKeyADDOCASDBXXXAY-NMWGTECJSA-N
MW364.41 g/mol
LogP3.71
Rot. Bonds3

About N-(4-fluoro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)quinoxaline-2-carboxamide

N-(4-fluoro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)quinoxaline-2-carboxamide (PubChem CID 43943489) has the molecular formula C19H13FN4OS and a molecular weight of 364.41 g/mol. Its IUPAC name is N-(4-fluoro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)quinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-(4-fluoro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)quinoxaline-2-carboxamide
PubChem CID43943489
Molecular FormulaC19H13FN4OS
Molecular Weight364.41 g/mol
Exact Mass364.08
IUPAC NameN-(4-fluoro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)quinoxaline-2-carboxamide
SMILESC=CCn1/c(=N/C(=O)c2cnc3ccccc3n2)sc2cccc(F)c21
InChIInChI=1S/C19H13FN4OS/c1-2-10-24-17-12(20)6-5-9-16(17)26-19(24)23-18(25)15-11-21-13-7-3-4-8-14(13)22-15/h2-9,11H,1,10H2/b23-19-
InChIKeyADDOCASDBXXXAY-NMWGTECJSA-N
XLogP3.71
TPSA60.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-fluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]quinoxaline-2-carboxamide
CID 43938343
N-(5,6-dimethyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)quinoxaline-2-carboxamide
CID 43980464
N-(4-fluoro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-2-phenylquinoline-4-carboxamide
CID 3342650
2,5-dichloro-N-(4-fluoro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)thiophene-3-carboxamide
CID 3536157
2-(2-fluorophenoxy)-N-(4-fluoro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)acetamide
CID 43943015
N-(4,6-difluoro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-1,3-benzothiazole-2-carboxamide
CID 4125840
N-(4-methoxy-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-1,3-benzothiazole-2-carboxamide
CID 2151210
4-(diethylsulfamoyl)-N-(4-fluoro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)benzamide
CID 4614783
N-(3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-1,3-benzothiazole-2-carboxamide
CID 3524164
N-(4-fluoro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-3-(4-methoxyphenyl)sulfonylpropanamide
CID 41324219
4-[bis(2-cyanoethyl)sulfamoyl]-N-(4-fluoro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)benzamide
CID 3290198
3-[(4-chlorophenyl)sulfonylamino]-N-(4-fluoro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)benzamide
CID 121043017

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)quinoxaline-2-carboxamide?
The IUPAC name of N-(4-fluoro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)quinoxaline-2-carboxamide (CID 43943489) is N-(4-fluoro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)quinoxaline-2-carboxamide.
What is the SMILES notation for N-(4-fluoro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)quinoxaline-2-carboxamide?
The canonical SMILES for N-(4-fluoro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)quinoxaline-2-carboxamide is C=CCn1/c(=N/C(=O)c2cnc3ccccc3n2)sc2cccc(F)c21.
What is the InChIKey of N-(4-fluoro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)quinoxaline-2-carboxamide?
The InChIKey is ADDOCASDBXXXAY-NMWGTECJSA-N. The full InChI is InChI=1S/C19H13FN4OS/c1-2-10-24-17-12(20)6-5-9-16(17)26-19(24)23-18(25)15-11-21-13-7-3-4-8-14(13)22-15/h2-9,11H,1,10H2/b23-19-.
What are the key properties of N-(4-fluoro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)quinoxaline-2-carboxamide?
N-(4-fluoro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)quinoxaline-2-carboxamide has a molecular weight of 364.41 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)quinoxaline-2-carboxamide is sourced from PubChem (CID 43943489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).