N-(4-methoxy-7-methyl-3-propyl-1,3-benzothiazol-2-ylidene)propanamide

C15H20N2O2S — CID 7541284

IUPACN-(4-methoxy-7-methyl-3-propyl-1,3-benzothiazol-2-ylidene)propanamide
SMILESCCCn1/c(=N/C(=O)CC)sc2c(C)ccc(OC)c21
InChIInChI=1S/C15H20N2O2S/c1-5-9-17-13-11(19-4)8-7-10(3)14(13)20-15(17)16-12(18)6-2/h7-8H,5-6,9H2,1-4H3/b16-15-
InChIKeyFREFPVCMIINJHQ-NXVVXOECSA-N
MW292.40 g/mol
LogP3.27
Rot. Bonds4

About N-(4-methoxy-7-methyl-3-propyl-1,3-benzothiazol-2-ylidene)propanamide

N-(4-methoxy-7-methyl-3-propyl-1,3-benzothiazol-2-ylidene)propanamide (PubChem CID 7541284) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is N-(4-methoxy-7-methyl-3-propyl-1,3-benzothiazol-2-ylidene)propanamide.

Molecular Properties

Compound NameN-(4-methoxy-7-methyl-3-propyl-1,3-benzothiazol-2-ylidene)propanamide
PubChem CID7541284
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC NameN-(4-methoxy-7-methyl-3-propyl-1,3-benzothiazol-2-ylidene)propanamide
SMILESCCCn1/c(=N/C(=O)CC)sc2c(C)ccc(OC)c21
InChIInChI=1S/C15H20N2O2S/c1-5-9-17-13-11(19-4)8-7-10(3)14(13)20-15(17)16-12(18)6-2/h7-8H,5-6,9H2,1-4H3/b16-15-
InChIKeyFREFPVCMIINJHQ-NXVVXOECSA-N
XLogP3.27
TPSA43.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenoxy)-N-(4-methoxy-7-methyl-3-propyl-1,3-benzothiazol-2-ylidene)acetamide
CID 41136924
2-(4-chlorophenyl)sulfonyl-N-(4-methoxy-7-methyl-3-propyl-1,3-benzothiazol-2-ylidene)acetamide
CID 41136978
N-(4-methoxy-7-methyl-3-propyl-1,3-benzothiazol-2-ylidene)-3,5-dinitrobenzamide
CID 41136959
N-(3-ethyl-4-methoxy-7-methyl-1,3-benzothiazol-2-ylidene)cyclopropanecarboxamide
CID 2150938
N-(4-methoxy-7-methyl-3-propyl-1,3-benzothiazol-2-ylidene)-2-nitrobenzamide
CID 41136943
N-(3-ethyl-4-methoxy-7-methyl-1,3-benzothiazol-2-ylidene)-2-(2-methoxy-5-methylphenyl)acetamide
CID 16913075
N-(3-ethyl-4-methoxy-7-methyl-1,3-benzothiazol-2-ylidene)-2-(4-propan-2-ylphenyl)acetamide
CID 41362730
N-(4,7-dimethoxy-3-propyl-1,3-benzothiazol-2-ylidene)-2-(4-methylphenyl)sulfonylacetamide
CID 41149193
2-(2,5-dioxopyrrolidin-1-yl)-N-(3-ethyl-4-methoxy-7-methyl-1,3-benzothiazol-2-ylidene)acetamide
CID 2151002
2-chloro-N-(4-methoxy-7-methyl-3-propyl-1,3-benzothiazol-2-ylidene)-5-nitrobenzamide
CID 41136958
N-(4-methoxy-7-methyl-3-propyl-1,3-benzothiazol-2-ylidene)-2-oxochromene-3-carboxamide
CID 41136926
3-(2,5-dioxopyrrolidin-1-yl)-N-(4-methoxy-7-methyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
CID 41136933

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-7-methyl-3-propyl-1,3-benzothiazol-2-ylidene)propanamide?
The IUPAC name of N-(4-methoxy-7-methyl-3-propyl-1,3-benzothiazol-2-ylidene)propanamide (CID 7541284) is N-(4-methoxy-7-methyl-3-propyl-1,3-benzothiazol-2-ylidene)propanamide.
What is the SMILES notation for N-(4-methoxy-7-methyl-3-propyl-1,3-benzothiazol-2-ylidene)propanamide?
The canonical SMILES for N-(4-methoxy-7-methyl-3-propyl-1,3-benzothiazol-2-ylidene)propanamide is CCCn1/c(=N/C(=O)CC)sc2c(C)ccc(OC)c21.
What is the InChIKey of N-(4-methoxy-7-methyl-3-propyl-1,3-benzothiazol-2-ylidene)propanamide?
The InChIKey is FREFPVCMIINJHQ-NXVVXOECSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-5-9-17-13-11(19-4)8-7-10(3)14(13)20-15(17)16-12(18)6-2/h7-8H,5-6,9H2,1-4H3/b16-15-.
What are the key properties of N-(4-methoxy-7-methyl-3-propyl-1,3-benzothiazol-2-ylidene)propanamide?
N-(4-methoxy-7-methyl-3-propyl-1,3-benzothiazol-2-ylidene)propanamide has a molecular weight of 292.40 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-7-methyl-3-propyl-1,3-benzothiazol-2-ylidene)propanamide is sourced from PubChem (CID 7541284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).