N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)pentanamide

C14H18N2O3S — CID 2150748

IUPACN-(4,7-dimethoxy-1,3-benzothiazol-2-yl)pentanamide
SMILESCCCCC(=O)Nc1nc2c(OC)ccc(OC)c2s1
InChIInChI=1S/C14H18N2O3S/c1-4-5-6-11(17)15-14-16-12-9(18-2)7-8-10(19-3)13(12)20-14/h7-8H,4-6H2,1-3H3,(H,15,16,17)
InChIKeyNPCJXMPZAHXUKA-UHFFFAOYSA-N
MW294.38 g/mol
LogP3.44
Rot. Bonds6

About N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)pentanamide

N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)pentanamide (PubChem CID 2150748) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)pentanamide.

Molecular Properties

Compound NameN-(4,7-dimethoxy-1,3-benzothiazol-2-yl)pentanamide
PubChem CID2150748
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC NameN-(4,7-dimethoxy-1,3-benzothiazol-2-yl)pentanamide
SMILESCCCCC(=O)Nc1nc2c(OC)ccc(OC)c2s1
InChIInChI=1S/C14H18N2O3S/c1-4-5-6-11(17)15-14-16-12-9(18-2)7-8-10(19-3)13(12)20-14/h7-8H,4-6H2,1-3H3,(H,15,16,17)
InChIKeyNPCJXMPZAHXUKA-UHFFFAOYSA-N
XLogP3.44
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-Chloro-4,7-dimethoxy-1,3-benzothiazole
CID 2049882
N-(5-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 655817
N-(4-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 3511405
N-(2-((2,5-Dimethoxyphenyl)amino)-4'-methyl-[4,5'-bithiazol]-2'-yl)propionamide
CID 1144688
N-[5-[2-(2,5-dimethoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]heptanamide
CID 11958451
N-(4-(5-(3-n-Pentylureido)pentyloxy)benzo[d]thiazol-2-yl)acetamide
CID 66556970
N-(5-(2-Acetamidobenzo[d]thiazol-4-yloxy)pentyl)-N-isopropylheptanamide
CID 66556972
4,7-Dimethoxy-1,3-benzothiazol-2-amine
CID 2049898
5,8-Dimethoxy-[1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-amine
CID 2771058
N-(5-methoxy-1,3-benzothiazol-2-yl)-3-methylbutanamide
CID 653438
N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)cyclopropanecarboxamide
CID 2150738
N-(4,7-dimethoxybenzo[d]thiazol-2-yl)-3-(phenylthio)propanamide
CID 2150776

Frequently Asked Questions

What is the IUPAC name of N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)pentanamide?
The IUPAC name of N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)pentanamide (CID 2150748) is N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)pentanamide.
What is the SMILES notation for N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)pentanamide?
The canonical SMILES for N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)pentanamide is CCCCC(=O)Nc1nc2c(OC)ccc(OC)c2s1.
What is the InChIKey of N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)pentanamide?
The InChIKey is NPCJXMPZAHXUKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S/c1-4-5-6-11(17)15-14-16-12-9(18-2)7-8-10(19-3)13(12)20-14/h7-8H,4-6H2,1-3H3,(H,15,16,17).
What are the key properties of N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)pentanamide?
N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)pentanamide has a molecular weight of 294.38 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)pentanamide is sourced from PubChem (CID 2150748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).