3-butoxy-N-[3-(2-methoxyethyl)-5,7-dimethyl-1,3-benzothiazol-2-ylidene]benzamide

C23H28N2O3S — CID 40888260

IUPAC3-butoxy-N-[3-(2-methoxyethyl)-5,7-dimethyl-1,3-benzothiazol-2-ylidene]benzamide
SMILESCCCCOc1cccc(C(=O)/N=c2\sc3c(C)cc(C)cc3n2CCOC)c1
InChIInChI=1S/C23H28N2O3S/c1-5-6-11-28-19-9-7-8-18(15-19)22(26)24-23-25(10-12-27-4)20-14-16(2)13-17(3)21(20)29-23/h7-9,13-15H,5-6,10-12H2,1-4H3/b24-23-
InChIKeyQBXDBFSCCKLBAR-VHXPQNKSSA-N
MW412.56 g/mol
LogP4.89
Rot. Bonds8

About 3-butoxy-N-[3-(2-methoxyethyl)-5,7-dimethyl-1,3-benzothiazol-2-ylidene]benzamide

3-butoxy-N-[3-(2-methoxyethyl)-5,7-dimethyl-1,3-benzothiazol-2-ylidene]benzamide (PubChem CID 40888260) has the molecular formula C23H28N2O3S and a molecular weight of 412.56 g/mol. Its IUPAC name is 3-butoxy-N-[3-(2-methoxyethyl)-5,7-dimethyl-1,3-benzothiazol-2-ylidene]benzamide.

Molecular Properties

Compound Name3-butoxy-N-[3-(2-methoxyethyl)-5,7-dimethyl-1,3-benzothiazol-2-ylidene]benzamide
PubChem CID40888260
Molecular FormulaC23H28N2O3S
Molecular Weight412.56 g/mol
Exact Mass412.18
IUPAC Name3-butoxy-N-[3-(2-methoxyethyl)-5,7-dimethyl-1,3-benzothiazol-2-ylidene]benzamide
SMILESCCCCOc1cccc(C(=O)/N=c2\sc3c(C)cc(C)cc3n2CCOC)c1
InChIInChI=1S/C23H28N2O3S/c1-5-6-11-28-19-9-7-8-18(15-19)22(26)24-23-25(10-12-27-4)20-14-16(2)13-17(3)21(20)29-23/h7-9,13-15H,5-6,10-12H2,1-4H3/b24-23-
InChIKeyQBXDBFSCCKLBAR-VHXPQNKSSA-N
XLogP4.89
TPSA52.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.56
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-butoxy-N-(5,7-dimethyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide
CID 43946292
N-(3-ethyl-5,7-dimethyl-1,3-benzothiazol-2-ylidene)-3-methoxybenzamide
CID 40885171
3-butoxy-N-[6-chloro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]benzamide
CID 3657342
4-butoxy-N-[3-(2-methoxyethyl)-4,6-dimethyl-1,3-benzothiazol-2-ylidene]benzamide
CID 40886422
3-butoxy-N-(6-methoxy-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
CID 43984384
3-butoxy-N-(6-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)benzamide
CID 3711055
4-(diethylsulfamoyl)-N-[3-(2-methoxyethyl)-5,7-dimethyl-1,3-benzothiazol-2-ylidene]benzamide
CID 40886331
N-[6-methoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-3-methylbenzamide
CID 4146347
N-(6-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)-3-pentoxybenzamide
CID 5051037
methyl 2-[2-(3-butoxybenzoyl)imino-4-methyl-1,3-benzothiazol-3-yl]acetate
CID 41204906
3-chloro-N-[6-ethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]benzamide
CID 4108323
N-[6-methyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-3-pentoxybenzamide
CID 30680347

Frequently Asked Questions

What is the IUPAC name of 3-butoxy-N-[3-(2-methoxyethyl)-5,7-dimethyl-1,3-benzothiazol-2-ylidene]benzamide?
The IUPAC name of 3-butoxy-N-[3-(2-methoxyethyl)-5,7-dimethyl-1,3-benzothiazol-2-ylidene]benzamide (CID 40888260) is 3-butoxy-N-[3-(2-methoxyethyl)-5,7-dimethyl-1,3-benzothiazol-2-ylidene]benzamide.
What is the SMILES notation for 3-butoxy-N-[3-(2-methoxyethyl)-5,7-dimethyl-1,3-benzothiazol-2-ylidene]benzamide?
The canonical SMILES for 3-butoxy-N-[3-(2-methoxyethyl)-5,7-dimethyl-1,3-benzothiazol-2-ylidene]benzamide is CCCCOc1cccc(C(=O)/N=c2\sc3c(C)cc(C)cc3n2CCOC)c1.
What is the InChIKey of 3-butoxy-N-[3-(2-methoxyethyl)-5,7-dimethyl-1,3-benzothiazol-2-ylidene]benzamide?
The InChIKey is QBXDBFSCCKLBAR-VHXPQNKSSA-N. The full InChI is InChI=1S/C23H28N2O3S/c1-5-6-11-28-19-9-7-8-18(15-19)22(26)24-23-25(10-12-27-4)20-14-16(2)13-17(3)21(20)29-23/h7-9,13-15H,5-6,10-12H2,1-4H3/b24-23-.
What are the key properties of 3-butoxy-N-[3-(2-methoxyethyl)-5,7-dimethyl-1,3-benzothiazol-2-ylidene]benzamide?
3-butoxy-N-[3-(2-methoxyethyl)-5,7-dimethyl-1,3-benzothiazol-2-ylidene]benzamide has a molecular weight of 412.56 g/mol, XLogP of 4.89, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butoxy-N-[3-(2-methoxyethyl)-5,7-dimethyl-1,3-benzothiazol-2-ylidene]benzamide is sourced from PubChem (CID 40888260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).