N-(6-methoxy-3-propyl-1,3-benzothiazol-2-ylidene)-4-phenoxybenzamide

C24H22N2O3S — CID 43984403

IUPACN-(6-methoxy-3-propyl-1,3-benzothiazol-2-ylidene)-4-phenoxybenzamide
SMILESCCCn1/c(=N/C(=O)c2ccc(Oc3ccccc3)cc2)sc2cc(OC)ccc21
InChIInChI=1S/C24H22N2O3S/c1-3-15-26-21-14-13-20(28-2)16-22(21)30-24(26)25-23(27)17-9-11-19(12-10-17)29-18-7-5-4-6-8-18/h4-14,16H,3,15H2,1-2H3/b25-24-
InChIKeyHEJBLBHUFVMDBU-IZHYLOQSSA-N
MW418.52 g/mol
LogP5.65
Rot. Bonds6

About N-(6-methoxy-3-propyl-1,3-benzothiazol-2-ylidene)-4-phenoxybenzamide

N-(6-methoxy-3-propyl-1,3-benzothiazol-2-ylidene)-4-phenoxybenzamide (PubChem CID 43984403) has the molecular formula C24H22N2O3S and a molecular weight of 418.52 g/mol. Its IUPAC name is N-(6-methoxy-3-propyl-1,3-benzothiazol-2-ylidene)-4-phenoxybenzamide.

Molecular Properties

Compound NameN-(6-methoxy-3-propyl-1,3-benzothiazol-2-ylidene)-4-phenoxybenzamide
PubChem CID43984403
Molecular FormulaC24H22N2O3S
Molecular Weight418.52 g/mol
Exact Mass418.14
IUPAC NameN-(6-methoxy-3-propyl-1,3-benzothiazol-2-ylidene)-4-phenoxybenzamide
SMILESCCCn1/c(=N/C(=O)c2ccc(Oc3ccccc3)cc2)sc2cc(OC)ccc21
InChIInChI=1S/C24H22N2O3S/c1-3-15-26-21-14-13-20(28-2)16-22(21)30-24(26)25-23(27)17-9-11-19(12-10-17)29-18-7-5-4-6-8-18/h4-14,16H,3,15H2,1-2H3/b25-24-
InChIKeyHEJBLBHUFVMDBU-IZHYLOQSSA-N
XLogP5.65
TPSA52.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.52
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-ethoxy-3-propyl-1,3-benzothiazol-2-ylidene)-4-phenoxybenzamide
CID 43984529
N-(6-chloro-3-propyl-1,3-benzothiazol-2-ylidene)-4-phenoxybenzamide
CID 43984663
N-(6-methoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-phenoxybenzamide
CID 3633646
4-methoxy-N-(6-methyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
CID 43983958
3-butoxy-N-(6-methoxy-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
CID 43984384
3,4,5-trimethoxy-N-(6-methoxy-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
CID 7540621
N-(6-methoxy-3-propyl-1,3-benzothiazol-2-ylidene)acetamide
CID 7540616
4-methoxy-N-(3-propyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)benzamide
CID 7540820
N-(6-methoxy-3-propyl-1,3-benzothiazol-2-ylidene)-1,3-benzothiazole-6-carboxamide
CID 43984423
N-(6-methoxy-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)benzamide
CID 3380936
N-(6-ethoxy-3-propyl-1,3-benzothiazol-2-ylidene)-4-fluorobenzamide
CID 43984453
4-chloro-N-[6-methoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]benzamide
CID 4146348

Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-3-propyl-1,3-benzothiazol-2-ylidene)-4-phenoxybenzamide?
The IUPAC name of N-(6-methoxy-3-propyl-1,3-benzothiazol-2-ylidene)-4-phenoxybenzamide (CID 43984403) is N-(6-methoxy-3-propyl-1,3-benzothiazol-2-ylidene)-4-phenoxybenzamide.
What is the SMILES notation for N-(6-methoxy-3-propyl-1,3-benzothiazol-2-ylidene)-4-phenoxybenzamide?
The canonical SMILES for N-(6-methoxy-3-propyl-1,3-benzothiazol-2-ylidene)-4-phenoxybenzamide is CCCn1/c(=N/C(=O)c2ccc(Oc3ccccc3)cc2)sc2cc(OC)ccc21.
What is the InChIKey of N-(6-methoxy-3-propyl-1,3-benzothiazol-2-ylidene)-4-phenoxybenzamide?
The InChIKey is HEJBLBHUFVMDBU-IZHYLOQSSA-N. The full InChI is InChI=1S/C24H22N2O3S/c1-3-15-26-21-14-13-20(28-2)16-22(21)30-24(26)25-23(27)17-9-11-19(12-10-17)29-18-7-5-4-6-8-18/h4-14,16H,3,15H2,1-2H3/b25-24-.
What are the key properties of N-(6-methoxy-3-propyl-1,3-benzothiazol-2-ylidene)-4-phenoxybenzamide?
N-(6-methoxy-3-propyl-1,3-benzothiazol-2-ylidene)-4-phenoxybenzamide has a molecular weight of 418.52 g/mol, XLogP of 5.65, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-3-propyl-1,3-benzothiazol-2-ylidene)-4-phenoxybenzamide is sourced from PubChem (CID 43984403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).