N-(5,6-dimethoxy-3-propyl-1,3-benzothiazol-2-ylidene)pentanamide

C17H24N2O3S — CID 7540957

IUPACN-(5,6-dimethoxy-3-propyl-1,3-benzothiazol-2-ylidene)pentanamide
SMILESCCCCC(=O)/N=c1\sc2cc(OC)c(OC)cc2n1CCC
InChIInChI=1S/C17H24N2O3S/c1-5-7-8-16(20)18-17-19(9-6-2)12-10-13(21-3)14(22-4)11-15(12)23-17/h10-11H,5-9H2,1-4H3/b18-17-
InChIKeyLEQVTBPMNUQPJO-ZCXUNETKSA-N
MW336.46 g/mol
LogP3.75
Rot. Bonds7

About N-(5,6-dimethoxy-3-propyl-1,3-benzothiazol-2-ylidene)pentanamide

N-(5,6-dimethoxy-3-propyl-1,3-benzothiazol-2-ylidene)pentanamide (PubChem CID 7540957) has the molecular formula C17H24N2O3S and a molecular weight of 336.46 g/mol. Its IUPAC name is N-(5,6-dimethoxy-3-propyl-1,3-benzothiazol-2-ylidene)pentanamide.

Molecular Properties

Compound NameN-(5,6-dimethoxy-3-propyl-1,3-benzothiazol-2-ylidene)pentanamide
PubChem CID7540957
Molecular FormulaC17H24N2O3S
Molecular Weight336.46 g/mol
Exact Mass336.15
IUPAC NameN-(5,6-dimethoxy-3-propyl-1,3-benzothiazol-2-ylidene)pentanamide
SMILESCCCCC(=O)/N=c1\sc2cc(OC)c(OC)cc2n1CCC
InChIInChI=1S/C17H24N2O3S/c1-5-7-8-16(20)18-17-19(9-6-2)12-10-13(21-3)14(22-4)11-15(12)23-17/h10-11H,5-9H2,1-4H3/b18-17-
InChIKeyLEQVTBPMNUQPJO-ZCXUNETKSA-N
XLogP3.75
TPSA52.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5,6-dimethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]butanamide
CID 40508999
2-chloro-N-(5,6-dimethoxy-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
CID 41134027
N-(5,6-dimethoxy-3-propyl-1,3-benzothiazol-2-ylidene)-4-(dimethylamino)benzamide
CID 40697354
2,4-dichloro-N-(5,6-dimethoxy-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
CID 41134090
N-[3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]pentanamide
CID 3606864
N-(5,6-dimethoxy-3-propyl-1,3-benzothiazol-2-ylidene)-4-(dimethylsulfamoyl)benzamide
CID 41134150
4-(diethylsulfamoyl)-N-(5,6-dimethoxy-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
CID 41134050
methyl 2-(6-methoxy-2-pentanoylimino-1,3-benzothiazol-3-yl)acetate
CID 3650724
N-[5,6-dimethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-(2,5-dioxopyrrolidin-1-yl)acetamide
CID 40509012
N-(5,6-dimethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-phenylsulfanylbutanamide
CID 41085959
N-(5,6-dimethoxy-3-propyl-1,3-benzothiazol-2-ylidene)-3-(2,5-dioxopyrrolidin-1-yl)benzamide
CID 41134363
N-[3-(2-ethoxyethyl)-5,6-dimethoxy-1,3-benzothiazol-2-ylidene]-2-phenoxyacetamide
CID 40509046

Frequently Asked Questions

What is the IUPAC name of N-(5,6-dimethoxy-3-propyl-1,3-benzothiazol-2-ylidene)pentanamide?
The IUPAC name of N-(5,6-dimethoxy-3-propyl-1,3-benzothiazol-2-ylidene)pentanamide (CID 7540957) is N-(5,6-dimethoxy-3-propyl-1,3-benzothiazol-2-ylidene)pentanamide.
What is the SMILES notation for N-(5,6-dimethoxy-3-propyl-1,3-benzothiazol-2-ylidene)pentanamide?
The canonical SMILES for N-(5,6-dimethoxy-3-propyl-1,3-benzothiazol-2-ylidene)pentanamide is CCCCC(=O)/N=c1\sc2cc(OC)c(OC)cc2n1CCC.
What is the InChIKey of N-(5,6-dimethoxy-3-propyl-1,3-benzothiazol-2-ylidene)pentanamide?
The InChIKey is LEQVTBPMNUQPJO-ZCXUNETKSA-N. The full InChI is InChI=1S/C17H24N2O3S/c1-5-7-8-16(20)18-17-19(9-6-2)12-10-13(21-3)14(22-4)11-15(12)23-17/h10-11H,5-9H2,1-4H3/b18-17-.
What are the key properties of N-(5,6-dimethoxy-3-propyl-1,3-benzothiazol-2-ylidene)pentanamide?
N-(5,6-dimethoxy-3-propyl-1,3-benzothiazol-2-ylidene)pentanamide has a molecular weight of 336.46 g/mol, XLogP of 3.75, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dimethoxy-3-propyl-1,3-benzothiazol-2-ylidene)pentanamide is sourced from PubChem (CID 7540957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).