2-phenoxy-N-(3-propyl-1,3-benzothiazol-2-ylidene)benzamide

C23H20N2O2S — CID 43983436

IUPAC2-phenoxy-N-(3-propyl-1,3-benzothiazol-2-ylidene)benzamide
SMILESCCCn1/c(=N/C(=O)c2ccccc2Oc2ccccc2)sc2ccccc21
InChIInChI=1S/C23H20N2O2S/c1-2-16-25-19-13-7-9-15-21(19)28-23(25)24-22(26)18-12-6-8-14-20(18)27-17-10-4-3-5-11-17/h3-15H,2,16H2,1H3/b24-23-
InChIKeyRNWMWIKDSLJWGT-VHXPQNKSSA-N
MW388.49 g/mol
LogP5.65
Rot. Bonds5

About 2-phenoxy-N-(3-propyl-1,3-benzothiazol-2-ylidene)benzamide

2-phenoxy-N-(3-propyl-1,3-benzothiazol-2-ylidene)benzamide (PubChem CID 43983436) has the molecular formula C23H20N2O2S and a molecular weight of 388.49 g/mol. Its IUPAC name is 2-phenoxy-N-(3-propyl-1,3-benzothiazol-2-ylidene)benzamide.

Molecular Properties

Compound Name2-phenoxy-N-(3-propyl-1,3-benzothiazol-2-ylidene)benzamide
PubChem CID43983436
Molecular FormulaC23H20N2O2S
Molecular Weight388.49 g/mol
Exact Mass388.12
IUPAC Name2-phenoxy-N-(3-propyl-1,3-benzothiazol-2-ylidene)benzamide
SMILESCCCn1/c(=N/C(=O)c2ccccc2Oc2ccccc2)sc2ccccc21
InChIInChI=1S/C23H20N2O2S/c1-2-16-25-19-13-7-9-15-21(19)28-23(25)24-22(26)18-12-6-8-14-20(18)27-17-10-4-3-5-11-17/h3-15H,2,16H2,1H3/b24-23-
InChIKeyRNWMWIKDSLJWGT-VHXPQNKSSA-N
XLogP5.65
TPSA43.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.49
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-methyl-3-propyl-1,3-benzothiazol-2-ylidene)-2-phenoxybenzamide
CID 43984041
N-(4-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)-2-phenoxybenzamide
CID 4192621
N-[5,6-dimethyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-2-phenoxybenzamide
CID 30680534
ethyl 2-[6-fluoro-2-(2-phenoxybenzoyl)imino-1,3-benzothiazol-3-yl]acetate
CID 5175804
N-(4-ethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-phenoxybenzamide
CID 43946505
methyl 2-[2-(2-ethoxybenzoyl)imino-1,3-benzothiazol-3-yl]acetate
CID 43939814
N-(6-methoxy-3-propyl-1,3-benzothiazol-2-ylidene)-4-phenoxybenzamide
CID 43984403
N-(6-chloro-3-propyl-1,3-benzothiazol-2-ylidene)-4-phenoxybenzamide
CID 43984663
(NE)-N-(3-propyl-1,3-benzothiazol-2-ylidene)nitrous amide
CID 6067375
N-(6-ethoxy-3-propyl-1,3-benzothiazol-2-ylidene)-4-phenoxybenzamide
CID 43984529
N-(6-chloro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-phenoxybenzamide
CID 4146166
N-(4-chloro-3-propyl-1,3-benzothiazol-2-ylidene)-2-methoxybenzamide
CID 41001431

Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-N-(3-propyl-1,3-benzothiazol-2-ylidene)benzamide?
The IUPAC name of 2-phenoxy-N-(3-propyl-1,3-benzothiazol-2-ylidene)benzamide (CID 43983436) is 2-phenoxy-N-(3-propyl-1,3-benzothiazol-2-ylidene)benzamide.
What is the SMILES notation for 2-phenoxy-N-(3-propyl-1,3-benzothiazol-2-ylidene)benzamide?
The canonical SMILES for 2-phenoxy-N-(3-propyl-1,3-benzothiazol-2-ylidene)benzamide is CCCn1/c(=N/C(=O)c2ccccc2Oc2ccccc2)sc2ccccc21.
What is the InChIKey of 2-phenoxy-N-(3-propyl-1,3-benzothiazol-2-ylidene)benzamide?
The InChIKey is RNWMWIKDSLJWGT-VHXPQNKSSA-N. The full InChI is InChI=1S/C23H20N2O2S/c1-2-16-25-19-13-7-9-15-21(19)28-23(25)24-22(26)18-12-6-8-14-20(18)27-17-10-4-3-5-11-17/h3-15H,2,16H2,1H3/b24-23-.
What are the key properties of 2-phenoxy-N-(3-propyl-1,3-benzothiazol-2-ylidene)benzamide?
2-phenoxy-N-(3-propyl-1,3-benzothiazol-2-ylidene)benzamide has a molecular weight of 388.49 g/mol, XLogP of 5.65, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-N-(3-propyl-1,3-benzothiazol-2-ylidene)benzamide is sourced from PubChem (CID 43983436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).