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

C23H19ClN2O2S — CID 43984663

IUPACN-(6-chloro-3-propyl-1,3-benzothiazol-2-ylidene)-4-phenoxybenzamide
SMILESCCCn1/c(=N/C(=O)c2ccc(Oc3ccccc3)cc2)sc2cc(Cl)ccc21
InChIInChI=1S/C23H19ClN2O2S/c1-2-14-26-20-13-10-17(24)15-21(20)29-23(26)25-22(27)16-8-11-19(12-9-16)28-18-6-4-3-5-7-18/h3-13,15H,2,14H2,1H3/b25-23-
InChIKeyDEFWTHQUVHJDPU-BZZOAKBMSA-N
MW422.94 g/mol
LogP6.30
Rot. Bonds5

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

N-(6-chloro-3-propyl-1,3-benzothiazol-2-ylidene)-4-phenoxybenzamide (PubChem CID 43984663) has the molecular formula C23H19ClN2O2S and a molecular weight of 422.94 g/mol. Its IUPAC name is N-(6-chloro-3-propyl-1,3-benzothiazol-2-ylidene)-4-phenoxybenzamide.

Molecular Properties

Compound NameN-(6-chloro-3-propyl-1,3-benzothiazol-2-ylidene)-4-phenoxybenzamide
PubChem CID43984663
Molecular FormulaC23H19ClN2O2S
Molecular Weight422.94 g/mol
Exact Mass422.09
IUPAC NameN-(6-chloro-3-propyl-1,3-benzothiazol-2-ylidene)-4-phenoxybenzamide
SMILESCCCn1/c(=N/C(=O)c2ccc(Oc3ccccc3)cc2)sc2cc(Cl)ccc21
InChIInChI=1S/C23H19ClN2O2S/c1-2-14-26-20-13-10-17(24)15-21(20)29-23(26)25-22(27)16-8-11-19(12-9-16)28-18-6-4-3-5-7-18/h3-13,15H,2,14H2,1H3/b25-23-
InChIKeyDEFWTHQUVHJDPU-BZZOAKBMSA-N
XLogP6.30
TPSA43.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.94
LogP ≤ 56.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-methoxy-3-propyl-1,3-benzothiazol-2-ylidene)-4-phenoxybenzamide
CID 43984403
N-(6-ethoxy-3-propyl-1,3-benzothiazol-2-ylidene)-4-phenoxybenzamide
CID 43984529
N-[6-chloro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-3-phenoxybenzamide
CID 4525294
4-chloro-N-(6-methyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
CID 43983945
N-(6-chloro-3-propyl-1,3-benzothiazol-2-ylidene)-3,4-dimethylbenzamide
CID 43984617
N-[6-chloro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-4-pentoxybenzamide
CID 3392087
N-(6-chloro-3-propyl-1,3-benzothiazol-2-ylidene)-3-methoxynaphthalene-2-carboxamide
CID 43984683
4-methoxy-N-(6-methyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
CID 43983958
4-benzoyl-N-[6-chloro-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]benzamide
CID 30680244
ethyl 3-(2-methylsulfanylethyl)-2-(4-phenoxybenzoyl)imino-1,3-benzothiazole-6-carboxylate
CID 30680485
3-butoxy-N-[6-chloro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]benzamide
CID 3657342
N-(6-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)naphthalene-2-carboxamide
CID 4186877

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-3-propyl-1,3-benzothiazol-2-ylidene)-4-phenoxybenzamide?
The IUPAC name of N-(6-chloro-3-propyl-1,3-benzothiazol-2-ylidene)-4-phenoxybenzamide (CID 43984663) is N-(6-chloro-3-propyl-1,3-benzothiazol-2-ylidene)-4-phenoxybenzamide.
What is the SMILES notation for N-(6-chloro-3-propyl-1,3-benzothiazol-2-ylidene)-4-phenoxybenzamide?
The canonical SMILES for N-(6-chloro-3-propyl-1,3-benzothiazol-2-ylidene)-4-phenoxybenzamide is CCCn1/c(=N/C(=O)c2ccc(Oc3ccccc3)cc2)sc2cc(Cl)ccc21.
What is the InChIKey of N-(6-chloro-3-propyl-1,3-benzothiazol-2-ylidene)-4-phenoxybenzamide?
The InChIKey is DEFWTHQUVHJDPU-BZZOAKBMSA-N. The full InChI is InChI=1S/C23H19ClN2O2S/c1-2-14-26-20-13-10-17(24)15-21(20)29-23(26)25-22(27)16-8-11-19(12-9-16)28-18-6-4-3-5-7-18/h3-13,15H,2,14H2,1H3/b25-23-.
What are the key properties of N-(6-chloro-3-propyl-1,3-benzothiazol-2-ylidene)-4-phenoxybenzamide?
N-(6-chloro-3-propyl-1,3-benzothiazol-2-ylidene)-4-phenoxybenzamide has a molecular weight of 422.94 g/mol, XLogP of 6.30, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-3-propyl-1,3-benzothiazol-2-ylidene)-4-phenoxybenzamide is sourced from PubChem (CID 43984663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).