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

C27H28N2OS — CID 43984270

IUPAC4-benzyl-N-(6-propan-2-yl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
SMILESCCCn1/c(=N/C(=O)c2ccc(Cc3ccccc3)cc2)sc2cc(C(C)C)ccc21
InChIInChI=1S/C27H28N2OS/c1-4-16-29-24-15-14-23(19(2)3)18-25(24)31-27(29)28-26(30)22-12-10-21(11-13-22)17-20-8-6-5-7-9-20/h5-15,18-19H,4,16-17H2,1-3H3/b28-27-
InChIKeyCOQUUVJEIDUFBI-DQSJHHFOSA-N
MW428.60 g/mol
LogP6.57
Rot. Bonds6

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

4-benzyl-N-(6-propan-2-yl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide (PubChem CID 43984270) has the molecular formula C27H28N2OS and a molecular weight of 428.60 g/mol. Its IUPAC name is 4-benzyl-N-(6-propan-2-yl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide.

Molecular Properties

Compound Name4-benzyl-N-(6-propan-2-yl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
PubChem CID43984270
Molecular FormulaC27H28N2OS
Molecular Weight428.60 g/mol
Exact Mass428.19
IUPAC Name4-benzyl-N-(6-propan-2-yl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
SMILESCCCn1/c(=N/C(=O)c2ccc(Cc3ccccc3)cc2)sc2cc(C(C)C)ccc21
InChIInChI=1S/C27H28N2OS/c1-4-16-29-24-15-14-23(19(2)3)18-25(24)31-27(29)28-26(30)22-12-10-21(11-13-22)17-20-8-6-5-7-9-20/h5-15,18-19H,4,16-17H2,1-3H3/b28-27-
InChIKeyCOQUUVJEIDUFBI-DQSJHHFOSA-N
XLogP6.57
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.60
LogP ≤ 56.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(6-propan-2-yl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
CID 43984193
4-benzyl-N-(6-ethyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
CID 43984132
4-acetyl-N-(6-propan-2-yl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
CID 43984224
4-(dimethylamino)-N-(6-propan-2-yl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
CID 43984292
N-(6-propan-2-yl-3-propyl-1,3-benzothiazol-2-ylidene)acetamide
CID 7540608
N-(6-propan-2-yl-3-propyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide
CID 43984213
4-benzyl-N-(6-bromo-3-ethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 5079509
4-benzyl-N-[3-(2-methoxyethyl)-6-methyl-1,3-benzothiazol-2-ylidene]benzamide
CID 4123898
4-acetyl-N-(6-ethyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
CID 43984091
4-benzoyl-N-(6-fluoro-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
CID 43984866
methyl 2-(4-benzylbenzoyl)imino-3-methyl-1,3-benzothiazole-6-carboxylate
CID 4057633
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-propan-2-yl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide?
The IUPAC name of 4-benzyl-N-(6-propan-2-yl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide (CID 43984270) is 4-benzyl-N-(6-propan-2-yl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide.
What is the SMILES notation for 4-benzyl-N-(6-propan-2-yl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide?
The canonical SMILES for 4-benzyl-N-(6-propan-2-yl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide is CCCn1/c(=N/C(=O)c2ccc(Cc3ccccc3)cc2)sc2cc(C(C)C)ccc21.
What is the InChIKey of 4-benzyl-N-(6-propan-2-yl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide?
The InChIKey is COQUUVJEIDUFBI-DQSJHHFOSA-N. The full InChI is InChI=1S/C27H28N2OS/c1-4-16-29-24-15-14-23(19(2)3)18-25(24)31-27(29)28-26(30)22-12-10-21(11-13-22)17-20-8-6-5-7-9-20/h5-15,18-19H,4,16-17H2,1-3H3/b28-27-.
What are the key properties of 4-benzyl-N-(6-propan-2-yl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide?
4-benzyl-N-(6-propan-2-yl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide has a molecular weight of 428.60 g/mol, XLogP of 6.57, 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-propan-2-yl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide is sourced from PubChem (CID 43984270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).