N-(5-methoxy-3-propyl-1,3-benzothiazol-2-ylidene)-3-phenylpropanamide

C20H22N2O2S — CID 41133758

IUPACN-(5-methoxy-3-propyl-1,3-benzothiazol-2-ylidene)-3-phenylpropanamide
SMILESCCCn1/c(=N/C(=O)CCc2ccccc2)sc2ccc(OC)cc21
InChIInChI=1S/C20H22N2O2S/c1-3-13-22-17-14-16(24-2)10-11-18(17)25-20(22)21-19(23)12-9-15-7-5-4-6-8-15/h4-8,10-11,14H,3,9,12-13H2,1-2H3/b21-20-
InChIKeyZRKSMJMXLUMTGR-MRCUWXFGSA-N
MW354.48 g/mol
LogP4.18
Rot. Bonds6

About N-(5-methoxy-3-propyl-1,3-benzothiazol-2-ylidene)-3-phenylpropanamide

N-(5-methoxy-3-propyl-1,3-benzothiazol-2-ylidene)-3-phenylpropanamide (PubChem CID 41133758) has the molecular formula C20H22N2O2S and a molecular weight of 354.48 g/mol. Its IUPAC name is N-(5-methoxy-3-propyl-1,3-benzothiazol-2-ylidene)-3-phenylpropanamide.

Molecular Properties

Compound NameN-(5-methoxy-3-propyl-1,3-benzothiazol-2-ylidene)-3-phenylpropanamide
PubChem CID41133758
Molecular FormulaC20H22N2O2S
Molecular Weight354.48 g/mol
Exact Mass354.14
IUPAC NameN-(5-methoxy-3-propyl-1,3-benzothiazol-2-ylidene)-3-phenylpropanamide
SMILESCCCn1/c(=N/C(=O)CCc2ccccc2)sc2ccc(OC)cc21
InChIInChI=1S/C20H22N2O2S/c1-3-13-22-17-14-16(24-2)10-11-18(17)25-20(22)21-19(23)12-9-15-7-5-4-6-8-15/h4-8,10-11,14H,3,9,12-13H2,1-2H3/b21-20-
InChIKeyZRKSMJMXLUMTGR-MRCUWXFGSA-N
XLogP4.18
TPSA43.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[5-methoxy-2-(2-phenylacetyl)imino-1,3-benzothiazol-3-yl]propanoate
CID 8613141
N-(6-fluoro-3-propyl-1,3-benzothiazol-2-ylidene)-3-phenylpropanamide
CID 43984928
N-(6-bromo-3-propyl-1,3-benzothiazol-2-ylidene)-3-phenylpropanamide
CID 43984804
ethyl 3-[5-methoxy-2-(2-phenoxyacetyl)imino-1,3-benzothiazol-3-yl]propanoate
CID 8613152
ethyl 3-[2-(3-phenylpropanoylimino)-1,3-benzothiazol-3-yl]propanoate
CID 8611914
N-(5-methoxy-3-propyl-1,3-benzothiazol-2-ylidene)-2-nitrobenzamide
CID 8613117
N-[3-(2-methoxyethyl)-6-methyl-1,3-benzothiazol-2-ylidene]-3-phenylpropanamide
CID 4227838
2-(benzenesulfonyl)-N-(6-methoxy-3-propyl-1,3-benzothiazol-2-ylidene)acetamide
CID 7540651
N-(6-methoxy-3-propyl-1,3-benzothiazol-2-ylidene)acetamide
CID 7540616
N-(5-methoxy-3-propyl-1,3-benzothiazol-2-ylidene)-3-nitrobenzamide
CID 8613037
N-(5,6-dimethyl-3-propyl-1,3-benzothiazol-2-ylidene)-2-phenylacetamide
CID 41048124
N-(6-methoxy-3-propyl-1,3-benzothiazol-2-ylidene)-4-phenoxybenzamide
CID 43984403

Frequently Asked Questions

What is the IUPAC name of N-(5-methoxy-3-propyl-1,3-benzothiazol-2-ylidene)-3-phenylpropanamide?
The IUPAC name of N-(5-methoxy-3-propyl-1,3-benzothiazol-2-ylidene)-3-phenylpropanamide (CID 41133758) is N-(5-methoxy-3-propyl-1,3-benzothiazol-2-ylidene)-3-phenylpropanamide.
What is the SMILES notation for N-(5-methoxy-3-propyl-1,3-benzothiazol-2-ylidene)-3-phenylpropanamide?
The canonical SMILES for N-(5-methoxy-3-propyl-1,3-benzothiazol-2-ylidene)-3-phenylpropanamide is CCCn1/c(=N/C(=O)CCc2ccccc2)sc2ccc(OC)cc21.
What is the InChIKey of N-(5-methoxy-3-propyl-1,3-benzothiazol-2-ylidene)-3-phenylpropanamide?
The InChIKey is ZRKSMJMXLUMTGR-MRCUWXFGSA-N. The full InChI is InChI=1S/C20H22N2O2S/c1-3-13-22-17-14-16(24-2)10-11-18(17)25-20(22)21-19(23)12-9-15-7-5-4-6-8-15/h4-8,10-11,14H,3,9,12-13H2,1-2H3/b21-20-.
What are the key properties of N-(5-methoxy-3-propyl-1,3-benzothiazol-2-ylidene)-3-phenylpropanamide?
N-(5-methoxy-3-propyl-1,3-benzothiazol-2-ylidene)-3-phenylpropanamide has a molecular weight of 354.48 g/mol, XLogP of 4.18, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methoxy-3-propyl-1,3-benzothiazol-2-ylidene)-3-phenylpropanamide is sourced from PubChem (CID 41133758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).