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

C24H22N2O2S — CID 43984041

IUPACN-(6-methyl-3-propyl-1,3-benzothiazol-2-ylidene)-2-phenoxybenzamide
SMILESCCCn1/c(=N/C(=O)c2ccccc2Oc2ccccc2)sc2cc(C)ccc21
InChIInChI=1S/C24H22N2O2S/c1-3-15-26-20-14-13-17(2)16-22(20)29-24(26)25-23(27)19-11-7-8-12-21(19)28-18-9-5-4-6-10-18/h4-14,16H,3,15H2,1-2H3/b25-24-
InChIKeyQHVJQHFJYZOOCU-IZHYLOQSSA-N
MW402.52 g/mol
LogP5.95
Rot. Bonds5

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

N-(6-methyl-3-propyl-1,3-benzothiazol-2-ylidene)-2-phenoxybenzamide (PubChem CID 43984041) has the molecular formula C24H22N2O2S and a molecular weight of 402.52 g/mol. Its IUPAC name is N-(6-methyl-3-propyl-1,3-benzothiazol-2-ylidene)-2-phenoxybenzamide.

Molecular Properties

Compound NameN-(6-methyl-3-propyl-1,3-benzothiazol-2-ylidene)-2-phenoxybenzamide
PubChem CID43984041
Molecular FormulaC24H22N2O2S
Molecular Weight402.52 g/mol
Exact Mass402.14
IUPAC NameN-(6-methyl-3-propyl-1,3-benzothiazol-2-ylidene)-2-phenoxybenzamide
SMILESCCCn1/c(=N/C(=O)c2ccccc2Oc2ccccc2)sc2cc(C)ccc21
InChIInChI=1S/C24H22N2O2S/c1-3-15-26-20-14-13-17(2)16-22(20)29-24(26)25-23(27)19-11-7-8-12-21(19)28-18-9-5-4-6-10-18/h4-14,16H,3,15H2,1-2H3/b25-24-
InChIKeyQHVJQHFJYZOOCU-IZHYLOQSSA-N
XLogP5.95
TPSA43.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.52
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenoxy-N-(3-propyl-1,3-benzothiazol-2-ylidene)benzamide
CID 43983436
ethyl 2-[6-fluoro-2-(2-phenoxybenzoyl)imino-1,3-benzothiazol-3-yl]acetate
CID 5175804
N-[5,6-dimethyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-2-phenoxybenzamide
CID 30680534
2-methoxy-N-[6-methyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]benzamide
CID 40699936
N-(6-chloro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-phenoxybenzamide
CID 4146166
N-(6-methoxy-3-propyl-1,3-benzothiazol-2-ylidene)-4-phenoxybenzamide
CID 43984403
2-chloro-N-(6-ethoxy-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
CID 43984447
N-(6-chloro-3-propyl-1,3-benzothiazol-2-ylidene)-4-phenoxybenzamide
CID 43984663
N-(6-ethoxy-3-propyl-1,3-benzothiazol-2-ylidene)-4-phenoxybenzamide
CID 43984529
2,5-dichloro-N-(6-methyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
CID 43983980
4-methoxy-N-(6-methyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
CID 43983958
N-(4-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)-2-phenoxybenzamide
CID 4192621

Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-3-propyl-1,3-benzothiazol-2-ylidene)-2-phenoxybenzamide?
The IUPAC name of N-(6-methyl-3-propyl-1,3-benzothiazol-2-ylidene)-2-phenoxybenzamide (CID 43984041) is N-(6-methyl-3-propyl-1,3-benzothiazol-2-ylidene)-2-phenoxybenzamide.
What is the SMILES notation for N-(6-methyl-3-propyl-1,3-benzothiazol-2-ylidene)-2-phenoxybenzamide?
The canonical SMILES for N-(6-methyl-3-propyl-1,3-benzothiazol-2-ylidene)-2-phenoxybenzamide is CCCn1/c(=N/C(=O)c2ccccc2Oc2ccccc2)sc2cc(C)ccc21.
What is the InChIKey of N-(6-methyl-3-propyl-1,3-benzothiazol-2-ylidene)-2-phenoxybenzamide?
The InChIKey is QHVJQHFJYZOOCU-IZHYLOQSSA-N. The full InChI is InChI=1S/C24H22N2O2S/c1-3-15-26-20-14-13-17(2)16-22(20)29-24(26)25-23(27)19-11-7-8-12-21(19)28-18-9-5-4-6-10-18/h4-14,16H,3,15H2,1-2H3/b25-24-.
What are the key properties of N-(6-methyl-3-propyl-1,3-benzothiazol-2-ylidene)-2-phenoxybenzamide?
N-(6-methyl-3-propyl-1,3-benzothiazol-2-ylidene)-2-phenoxybenzamide has a molecular weight of 402.52 g/mol, XLogP of 5.95, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-3-propyl-1,3-benzothiazol-2-ylidene)-2-phenoxybenzamide is sourced from PubChem (CID 43984041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).