5-chloro-N-(3-prop-2-enylbenzo[g][1,3]benzothiazol-2-ylidene)thiophene-2-carboxamide

C19H13ClN2OS2 — CID 43943916

IUPAC5-chloro-N-(3-prop-2-enylbenzo[g][1,3]benzothiazol-2-ylidene)thiophene-2-carboxamide
SMILESC=CCn1/c(=N/C(=O)c2ccc(Cl)s2)sc2c3ccccc3ccc21
InChIInChI=1S/C19H13ClN2OS2/c1-2-11-22-14-8-7-12-5-3-4-6-13(12)17(14)25-19(22)21-18(23)15-9-10-16(20)24-15/h2-10H,1,11H2/b21-19-
InChIKeyNAVIEIFTNITDNC-VZCXRCSSSA-N
MW384.91 g/mol
LogP5.50
Rot. Bonds3

About 5-chloro-N-(3-prop-2-enylbenzo[g][1,3]benzothiazol-2-ylidene)thiophene-2-carboxamide

5-chloro-N-(3-prop-2-enylbenzo[g][1,3]benzothiazol-2-ylidene)thiophene-2-carboxamide (PubChem CID 43943916) has the molecular formula C19H13ClN2OS2 and a molecular weight of 384.91 g/mol. Its IUPAC name is 5-chloro-N-(3-prop-2-enylbenzo[g][1,3]benzothiazol-2-ylidene)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(3-prop-2-enylbenzo[g][1,3]benzothiazol-2-ylidene)thiophene-2-carboxamide
PubChem CID43943916
Molecular FormulaC19H13ClN2OS2
Molecular Weight384.91 g/mol
Exact Mass384.02
IUPAC Name5-chloro-N-(3-prop-2-enylbenzo[g][1,3]benzothiazol-2-ylidene)thiophene-2-carboxamide
SMILESC=CCn1/c(=N/C(=O)c2ccc(Cl)s2)sc2c3ccccc3ccc21
InChIInChI=1S/C19H13ClN2OS2/c1-2-11-22-14-8-7-12-5-3-4-6-13(12)17(14)25-19(22)21-18(23)15-9-10-16(20)24-15/h2-10H,1,11H2/b21-19-
InChIKeyNAVIEIFTNITDNC-VZCXRCSSSA-N
XLogP5.50
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.91
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-(3-prop-2-enylbenzo[g][1,3]benzothiazol-2-ylidene)benzamide
CID 43943639
2-[2-oxo-2-[(3-prop-2-enylbenzo[g][1,3]benzothiazol-2-ylidene)amino]ethoxy]-N-(3-prop-2-enylbenzo[g][1,3]benzothiazol-2-ylidene)acetamide
CID 43944742
(E)-3-(2-chlorophenyl)-N-(3-prop-2-enylbenzo[g][1,3]benzothiazol-2-ylidene)prop-2-enamide
CID 43944135
4-(dimethylsulfamoyl)-N-(3-prop-2-enylbenzo[g][1,3]benzothiazol-2-ylidene)benzamide
CID 43943845
5-nitro-N-(3-prop-2-enylbenzo[g][1,3]benzothiazol-2-ylidene)furan-2-carboxamide
CID 2151214
4-piperidin-1-ylsulfonyl-N-(3-prop-2-enylbenzo[g][1,3]benzothiazol-2-ylidene)benzamide
CID 43943827
4-(2,3-dihydroindol-1-ylsulfonyl)-N-(3-prop-2-enylbenzo[g][1,3]benzothiazol-2-ylidene)benzamide
CID 43944692
ethyl 2-(5-chlorothiophene-2-carbonyl)imino-3-prop-2-enyl-1,3-benzothiazole-6-carboxylate
CID 4113831
ethyl 4-[4-[(3-prop-2-enylbenzo[g][1,3]benzothiazol-2-ylidene)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate
CID 43944185
ethyl 2-[2-(5-bromothiophene-2-carbonyl)iminobenzo[g][1,3]benzothiazol-3-yl]acetate
CID 43941515
N-(3-ethylbenzo[g][1,3]benzothiazol-2-ylidene)-2,2-dimethylpropanamide
CID 5105360
3-chloro-N-(5,7-dimethyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-1-benzothiophene-2-carboxamide
CID 43943998

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3-prop-2-enylbenzo[g][1,3]benzothiazol-2-ylidene)thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-(3-prop-2-enylbenzo[g][1,3]benzothiazol-2-ylidene)thiophene-2-carboxamide (CID 43943916) is 5-chloro-N-(3-prop-2-enylbenzo[g][1,3]benzothiazol-2-ylidene)thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(3-prop-2-enylbenzo[g][1,3]benzothiazol-2-ylidene)thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-(3-prop-2-enylbenzo[g][1,3]benzothiazol-2-ylidene)thiophene-2-carboxamide is C=CCn1/c(=N/C(=O)c2ccc(Cl)s2)sc2c3ccccc3ccc21.
What is the InChIKey of 5-chloro-N-(3-prop-2-enylbenzo[g][1,3]benzothiazol-2-ylidene)thiophene-2-carboxamide?
The InChIKey is NAVIEIFTNITDNC-VZCXRCSSSA-N. The full InChI is InChI=1S/C19H13ClN2OS2/c1-2-11-22-14-8-7-12-5-3-4-6-13(12)17(14)25-19(22)21-18(23)15-9-10-16(20)24-15/h2-10H,1,11H2/b21-19-.
What are the key properties of 5-chloro-N-(3-prop-2-enylbenzo[g][1,3]benzothiazol-2-ylidene)thiophene-2-carboxamide?
5-chloro-N-(3-prop-2-enylbenzo[g][1,3]benzothiazol-2-ylidene)thiophene-2-carboxamide has a molecular weight of 384.91 g/mol, XLogP of 5.50, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3-prop-2-enylbenzo[g][1,3]benzothiazol-2-ylidene)thiophene-2-carboxamide is sourced from PubChem (CID 43943916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).