4-benzyl-N-(6-ethyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide

C26H26N2OS — CID 43984132

IUPAC4-benzyl-N-(6-ethyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
SMILESCCCn1/c(=N/C(=O)c2ccc(Cc3ccccc3)cc2)sc2cc(CC)ccc21
InChIInChI=1S/C26H26N2OS/c1-3-16-28-23-15-12-19(4-2)18-24(23)30-26(28)27-25(29)22-13-10-21(11-14-22)17-20-8-6-5-7-9-20/h5-15,18H,3-4,16-17H2,1-2H3/b27-26-
InChIKeyJYUBAFNLQBHPRH-RQZHXJHFSA-N
MW414.57 g/mol
LogP6.01
Rot. Bonds6

About 4-benzyl-N-(6-ethyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide

4-benzyl-N-(6-ethyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide (PubChem CID 43984132) has the molecular formula C26H26N2OS and a molecular weight of 414.57 g/mol. Its IUPAC name is 4-benzyl-N-(6-ethyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide.

Molecular Properties

Compound Name4-benzyl-N-(6-ethyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
PubChem CID43984132
Molecular FormulaC26H26N2OS
Molecular Weight414.57 g/mol
Exact Mass414.18
IUPAC Name4-benzyl-N-(6-ethyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
SMILESCCCn1/c(=N/C(=O)c2ccc(Cc3ccccc3)cc2)sc2cc(CC)ccc21
InChIInChI=1S/C26H26N2OS/c1-3-16-28-23-15-12-19(4-2)18-24(23)30-26(28)27-25(29)22-13-10-21(11-14-22)17-20-8-6-5-7-9-20/h5-15,18H,3-4,16-17H2,1-2H3/b27-26-
InChIKeyJYUBAFNLQBHPRH-RQZHXJHFSA-N
XLogP6.01
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.57
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-benzyl-N-(6-propan-2-yl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
CID 43984270
4-acetyl-N-(6-ethyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
CID 43984091
4-(dimethylamino)-N-(6-ethyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
CID 43984153
4-benzyl-N-(6-bromo-3-ethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 5079509
methyl 2-(4-benzylbenzoyl)imino-3-methyl-1,3-benzothiazole-6-carboxylate
CID 4057633
4-benzyl-N-[3-(2-methoxyethyl)-6-methyl-1,3-benzothiazol-2-ylidene]benzamide
CID 4123898
N-(6-ethyl-3-propyl-1,3-benzothiazol-2-ylidene)-2-fluorobenzamide
CID 43984141
N-(6-ethyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide
CID 40996450
N-(6-propan-2-yl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
CID 43984193
4-benzoyl-N-(6-fluoro-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
CID 43984866
4-(dibutylsulfamoyl)-N-(6-ethyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
CID 43984161
4-bromo-N-(6-bromo-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
CID 43984720

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-N-(6-ethyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide?
The IUPAC name of 4-benzyl-N-(6-ethyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide (CID 43984132) is 4-benzyl-N-(6-ethyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide.
What is the SMILES notation for 4-benzyl-N-(6-ethyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide?
The canonical SMILES for 4-benzyl-N-(6-ethyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide is CCCn1/c(=N/C(=O)c2ccc(Cc3ccccc3)cc2)sc2cc(CC)ccc21.
What is the InChIKey of 4-benzyl-N-(6-ethyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide?
The InChIKey is JYUBAFNLQBHPRH-RQZHXJHFSA-N. The full InChI is InChI=1S/C26H26N2OS/c1-3-16-28-23-15-12-19(4-2)18-24(23)30-26(28)27-25(29)22-13-10-21(11-14-22)17-20-8-6-5-7-9-20/h5-15,18H,3-4,16-17H2,1-2H3/b27-26-.
What are the key properties of 4-benzyl-N-(6-ethyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide?
4-benzyl-N-(6-ethyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide has a molecular weight of 414.57 g/mol, XLogP of 6.01, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-N-(6-ethyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide is sourced from PubChem (CID 43984132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).