N-(6-fluoro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide

C15H11FN2OS2 — CID 3633065

IUPACN-(6-fluoro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide
SMILESC=CCn1/c(=N/C(=O)c2cccs2)sc2cc(F)ccc21
InChIInChI=1S/C15H11FN2OS2/c1-2-7-18-11-6-5-10(16)9-13(11)21-15(18)17-14(19)12-4-3-8-20-12/h2-6,8-9H,1,7H2/b17-15-
InChIKeyGVIYMUZQHOAVAM-ICFOKQHNSA-N
MW318.40 g/mol
LogP3.83
Rot. Bonds3

About N-(6-fluoro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide

N-(6-fluoro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide (PubChem CID 3633065) has the molecular formula C15H11FN2OS2 and a molecular weight of 318.40 g/mol. Its IUPAC name is N-(6-fluoro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(6-fluoro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide
PubChem CID3633065
Molecular FormulaC15H11FN2OS2
Molecular Weight318.40 g/mol
Exact Mass318.03
IUPAC NameN-(6-fluoro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide
SMILESC=CCn1/c(=N/C(=O)c2cccs2)sc2cc(F)ccc21
InChIInChI=1S/C15H11FN2OS2/c1-2-7-18-11-6-5-10(16)9-13(11)21-15(18)17-14(19)12-4-3-8-20-12/h2-6,8-9H,1,7H2/b17-15-
InChIKeyGVIYMUZQHOAVAM-ICFOKQHNSA-N
XLogP3.83
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide?
The IUPAC name of N-(6-fluoro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide (CID 3633065) is N-(6-fluoro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide.
What is the SMILES notation for N-(6-fluoro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide?
The canonical SMILES for N-(6-fluoro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide is C=CCn1/c(=N/C(=O)c2cccs2)sc2cc(F)ccc21.
What is the InChIKey of N-(6-fluoro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide?
The InChIKey is GVIYMUZQHOAVAM-ICFOKQHNSA-N. The full InChI is InChI=1S/C15H11FN2OS2/c1-2-7-18-11-6-5-10(16)9-13(11)21-15(18)17-14(19)12-4-3-8-20-12/h2-6,8-9H,1,7H2/b17-15-.
What are the key properties of N-(6-fluoro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide?
N-(6-fluoro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide has a molecular weight of 318.40 g/mol, XLogP of 3.83, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluoro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide is sourced from PubChem (CID 3633065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).