(E)-N-(4,5-dichloro-1,3-benzothiazol-2-yl)-3-thiophen-2-ylprop-2-enamide

C14H8Cl2N2OS2 — CID 6025860

IUPAC(E)-N-(4,5-dichloro-1,3-benzothiazol-2-yl)-3-thiophen-2-ylprop-2-enamide
SMILESO=C(/C=C/c1cccs1)Nc1nc2c(Cl)c(Cl)ccc2s1
InChIInChI=1S/C14H8Cl2N2OS2/c15-9-4-5-10-13(12(9)16)18-14(21-10)17-11(19)6-3-8-2-1-7-20-8/h1-7H,(H,17,18,19)/b6-3+
InChIKeyUJRVKNIAUIWWJM-ZZXKWVIFSA-N
MW355.27 g/mol
LogP5.32
Rot. Bonds3

About (E)-N-(4,5-dichloro-1,3-benzothiazol-2-yl)-3-thiophen-2-ylprop-2-enamide

(E)-N-(4,5-dichloro-1,3-benzothiazol-2-yl)-3-thiophen-2-ylprop-2-enamide (PubChem CID 6025860) has the molecular formula C14H8Cl2N2OS2 and a molecular weight of 355.27 g/mol. Its IUPAC name is (E)-N-(4,5-dichloro-1,3-benzothiazol-2-yl)-3-thiophen-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(4,5-dichloro-1,3-benzothiazol-2-yl)-3-thiophen-2-ylprop-2-enamide
PubChem CID6025860
Molecular FormulaC14H8Cl2N2OS2
Molecular Weight355.27 g/mol
Exact Mass353.95
IUPAC Name(E)-N-(4,5-dichloro-1,3-benzothiazol-2-yl)-3-thiophen-2-ylprop-2-enamide
SMILESO=C(/C=C/c1cccs1)Nc1nc2c(Cl)c(Cl)ccc2s1
InChIInChI=1S/C14H8Cl2N2OS2/c15-9-4-5-10-13(12(9)16)18-14(21-10)17-11(19)6-3-8-2-1-7-20-8/h1-7H,(H,17,18,19)/b6-3+
InChIKeyUJRVKNIAUIWWJM-ZZXKWVIFSA-N
XLogP5.32
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.27
LogP ≤ 55.32
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

(E)-N-(4-chloro-1,3-benzothiazol-2-yl)-3-thiophen-2-ylprop-2-enamide
CID 17374448
N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-3-thiophen-2-ylprop-2-enamide
CID 3493292
N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-thiophen-2-ylprop-2-enamide
CID 1012057
N-[(4,5-dichloro-1,3-benzothiazol-2-yl)carbamothioyl]-3-phenylprop-2-enamide
CID 4038292
N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-3-thiophen-2-ylprop-2-enamide
CID 71962512
(E)-N-(4,5-dichloro-1,3-benzothiazol-2-yl)-3-[5-(3,5-dichlorophenyl)furan-2-yl]prop-2-enamide
CID 17117031
(E)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-thiophen-2-ylprop-2-enamide
CID 1220189
N-benzo[g][1,3]benzothiazol-2-yl-3-thiophen-2-ylprop-2-enamide
CID 5169785
N-(4,5-dichloro-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 16830556
N-(4,5-dichloro-1,3-benzothiazol-2-yl)thiophene-2-sulfonamide
CID 16934134
(E)-N-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-3-thiophen-2-ylprop-2-enamide
CID 6108158
3-thiophen-2-yl-N-[4-thiophen-2-yl-5-(2,2,2-trifluoroacetyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 71962953

Frequently Asked Questions

What is the IUPAC name of (E)-N-(4,5-dichloro-1,3-benzothiazol-2-yl)-3-thiophen-2-ylprop-2-enamide?
The IUPAC name of (E)-N-(4,5-dichloro-1,3-benzothiazol-2-yl)-3-thiophen-2-ylprop-2-enamide (CID 6025860) is (E)-N-(4,5-dichloro-1,3-benzothiazol-2-yl)-3-thiophen-2-ylprop-2-enamide.
What is the SMILES notation for (E)-N-(4,5-dichloro-1,3-benzothiazol-2-yl)-3-thiophen-2-ylprop-2-enamide?
The canonical SMILES for (E)-N-(4,5-dichloro-1,3-benzothiazol-2-yl)-3-thiophen-2-ylprop-2-enamide is O=C(/C=C/c1cccs1)Nc1nc2c(Cl)c(Cl)ccc2s1.
What is the InChIKey of (E)-N-(4,5-dichloro-1,3-benzothiazol-2-yl)-3-thiophen-2-ylprop-2-enamide?
The InChIKey is UJRVKNIAUIWWJM-ZZXKWVIFSA-N. The full InChI is InChI=1S/C14H8Cl2N2OS2/c15-9-4-5-10-13(12(9)16)18-14(21-10)17-11(19)6-3-8-2-1-7-20-8/h1-7H,(H,17,18,19)/b6-3+.
What are the key properties of (E)-N-(4,5-dichloro-1,3-benzothiazol-2-yl)-3-thiophen-2-ylprop-2-enamide?
(E)-N-(4,5-dichloro-1,3-benzothiazol-2-yl)-3-thiophen-2-ylprop-2-enamide has a molecular weight of 355.27 g/mol, XLogP of 5.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4,5-dichloro-1,3-benzothiazol-2-yl)-3-thiophen-2-ylprop-2-enamide is sourced from PubChem (CID 6025860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).