N-benzo[g][1,3]benzothiazol-2-yl-3-thiophen-2-ylprop-2-enamide

C18H12N2OS2 — CID 5169785

IUPACN-benzo[g][1,3]benzothiazol-2-yl-3-thiophen-2-ylprop-2-enamide
SMILESO=C(C=Cc1cccs1)Nc1nc2ccc3ccccc3c2s1
InChIInChI=1S/C18H12N2OS2/c21-16(10-8-13-5-3-11-22-13)20-18-19-15-9-7-12-4-1-2-6-14(12)17(15)23-18/h1-11H,(H,19,20,21)
InChIKeyHRESFBXXFJIHDB-UHFFFAOYSA-N
MW336.44 g/mol
LogP5.16
Rot. Bonds3

About N-benzo[g][1,3]benzothiazol-2-yl-3-thiophen-2-ylprop-2-enamide

N-benzo[g][1,3]benzothiazol-2-yl-3-thiophen-2-ylprop-2-enamide (PubChem CID 5169785) has the molecular formula C18H12N2OS2 and a molecular weight of 336.44 g/mol. Its IUPAC name is N-benzo[g][1,3]benzothiazol-2-yl-3-thiophen-2-ylprop-2-enamide.

Molecular Properties

Compound NameN-benzo[g][1,3]benzothiazol-2-yl-3-thiophen-2-ylprop-2-enamide
PubChem CID5169785
Molecular FormulaC18H12N2OS2
Molecular Weight336.44 g/mol
Exact Mass336.04
IUPAC NameN-benzo[g][1,3]benzothiazol-2-yl-3-thiophen-2-ylprop-2-enamide
SMILESO=C(C=Cc1cccs1)Nc1nc2ccc3ccccc3c2s1
InChIInChI=1S/C18H12N2OS2/c21-16(10-8-13-5-3-11-22-13)20-18-19-15-9-7-12-4-1-2-6-14(12)17(15)23-18/h1-11H,(H,19,20,21)
InChIKeyHRESFBXXFJIHDB-UHFFFAOYSA-N
XLogP5.16
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.44
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-3-thiophen-2-ylprop-2-enamide
CID 71962512
(E)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-thiophen-2-ylprop-2-enamide
CID 1220189
N-naphthalen-2-yl-3-thiophen-2-ylprop-2-enamide
CID 3594199
(Z)-N-(1,3-benzothiazol-2-yl)-3-naphthalen-1-ylprop-2-enamide
CID 92898547
(E)-N-(4,5-dichloro-1,3-benzothiazol-2-yl)-3-thiophen-2-ylprop-2-enamide
CID 6025860
(E)-N-(4-chloro-1,3-benzothiazol-2-yl)-3-thiophen-2-ylprop-2-enamide
CID 17374448
N-benzo[g][1,3]benzothiazol-2-ylbutanamide
CID 5054800
(E)-N-quinolin-3-yl-3-thiophen-2-ylprop-2-enamide
CID 18146464
(E)-N-quinoxalin-2-yl-3-thiophen-2-ylprop-2-enamide
CID 25061370
(E)-N-(1-propylbenzimidazol-2-yl)-3-thiophen-2-ylprop-2-enamide
CID 8914471
N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-3-thiophen-2-ylprop-2-enamide
CID 3493292
(E)-N-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-3-thiophen-2-ylprop-2-enamide
CID 6108158

Frequently Asked Questions

What is the IUPAC name of N-benzo[g][1,3]benzothiazol-2-yl-3-thiophen-2-ylprop-2-enamide?
The IUPAC name of N-benzo[g][1,3]benzothiazol-2-yl-3-thiophen-2-ylprop-2-enamide (CID 5169785) is N-benzo[g][1,3]benzothiazol-2-yl-3-thiophen-2-ylprop-2-enamide.
What is the SMILES notation for N-benzo[g][1,3]benzothiazol-2-yl-3-thiophen-2-ylprop-2-enamide?
The canonical SMILES for N-benzo[g][1,3]benzothiazol-2-yl-3-thiophen-2-ylprop-2-enamide is O=C(C=Cc1cccs1)Nc1nc2ccc3ccccc3c2s1.
What is the InChIKey of N-benzo[g][1,3]benzothiazol-2-yl-3-thiophen-2-ylprop-2-enamide?
The InChIKey is HRESFBXXFJIHDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2OS2/c21-16(10-8-13-5-3-11-22-13)20-18-19-15-9-7-12-4-1-2-6-14(12)17(15)23-18/h1-11H,(H,19,20,21).
What are the key properties of N-benzo[g][1,3]benzothiazol-2-yl-3-thiophen-2-ylprop-2-enamide?
N-benzo[g][1,3]benzothiazol-2-yl-3-thiophen-2-ylprop-2-enamide has a molecular weight of 336.44 g/mol, XLogP of 5.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzo[g][1,3]benzothiazol-2-yl-3-thiophen-2-ylprop-2-enamide is sourced from PubChem (CID 5169785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).