N-(4,6-dichloro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-2,4-dimethylbenzamide

C19H16Cl2N2OS — CID 43944704

IUPACN-(4,6-dichloro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-2,4-dimethylbenzamide
SMILESC=CCn1/c(=N/C(=O)c2ccc(C)cc2C)sc2cc(Cl)cc(Cl)c21
InChIInChI=1S/C19H16Cl2N2OS/c1-4-7-23-17-15(21)9-13(20)10-16(17)25-19(23)22-18(24)14-6-5-11(2)8-12(14)3/h4-6,8-10H,1,7H2,2-3H3/b22-19-
InChIKeyLAZVIVINOOPODP-QOCHGBHMSA-N
MW391.32 g/mol
LogP5.55
Rot. Bonds3

About N-(4,6-dichloro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-2,4-dimethylbenzamide

N-(4,6-dichloro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-2,4-dimethylbenzamide (PubChem CID 43944704) has the molecular formula C19H16Cl2N2OS and a molecular weight of 391.32 g/mol. Its IUPAC name is N-(4,6-dichloro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-2,4-dimethylbenzamide.

Molecular Properties

Compound NameN-(4,6-dichloro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-2,4-dimethylbenzamide
PubChem CID43944704
Molecular FormulaC19H16Cl2N2OS
Molecular Weight391.32 g/mol
Exact Mass390.04
IUPAC NameN-(4,6-dichloro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-2,4-dimethylbenzamide
SMILESC=CCn1/c(=N/C(=O)c2ccc(C)cc2C)sc2cc(Cl)cc(Cl)c21
InChIInChI=1S/C19H16Cl2N2OS/c1-4-7-23-17-15(21)9-13(20)10-16(17)25-19(23)22-18(24)14-6-5-11(2)8-12(14)3/h4-6,8-10H,1,7H2,2-3H3/b22-19-
InChIKeyLAZVIVINOOPODP-QOCHGBHMSA-N
XLogP5.55
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.32
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,5-dichloro-N-(4,6-dimethyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)benzamide
CID 43943974
N-(4,6-dichloro-3-ethyl-1,3-benzothiazol-2-ylidene)-2-methylbenzamide
CID 40885342
N-(4,6-dichloro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 43944209
2,4-dichloro-N-(4,6-difluoro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)benzamide
CID 3611708
N-(4,6-dichloro-3-methyl-1,3-benzothiazol-2-ylidene)-2,5-dimethylbenzamide
CID 40885526
2,4-dimethyl-N-(3-prop-2-enyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)benzamide
CID 40694648
N-(4,6-dichloro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-4-[methyl(phenyl)sulfamoyl]benzamide
CID 43944396
N-(4,6-dichloro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-methylbenzamide
CID 40885698
4-[bis(2-methoxyethyl)sulfamoyl]-N-(4,6-dichloro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)benzamide
CID 43944638
N-(4,6-dichloro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-4-oxochromene-2-carboxamide
CID 43944054
N-(4,6-dichloro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-3-phenylsulfanylpropanamide
CID 43944664
2,4-dichloro-N-[4,6-dichloro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]benzamide
CID 43938634

Frequently Asked Questions

What is the IUPAC name of N-(4,6-dichloro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-2,4-dimethylbenzamide?
The IUPAC name of N-(4,6-dichloro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-2,4-dimethylbenzamide (CID 43944704) is N-(4,6-dichloro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-2,4-dimethylbenzamide.
What is the SMILES notation for N-(4,6-dichloro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-2,4-dimethylbenzamide?
The canonical SMILES for N-(4,6-dichloro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-2,4-dimethylbenzamide is C=CCn1/c(=N/C(=O)c2ccc(C)cc2C)sc2cc(Cl)cc(Cl)c21.
What is the InChIKey of N-(4,6-dichloro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-2,4-dimethylbenzamide?
The InChIKey is LAZVIVINOOPODP-QOCHGBHMSA-N. The full InChI is InChI=1S/C19H16Cl2N2OS/c1-4-7-23-17-15(21)9-13(20)10-16(17)25-19(23)22-18(24)14-6-5-11(2)8-12(14)3/h4-6,8-10H,1,7H2,2-3H3/b22-19-.
What are the key properties of N-(4,6-dichloro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-2,4-dimethylbenzamide?
N-(4,6-dichloro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-2,4-dimethylbenzamide has a molecular weight of 391.32 g/mol, XLogP of 5.55, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dichloro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-2,4-dimethylbenzamide is sourced from PubChem (CID 43944704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).