N-(5,6-difluoro-1,3-benzothiazol-2-yl)-N',N'-dipropylpentanediamide

C18H23F2N3O2S — CID 56538986

IUPACN-(5,6-difluoro-1,3-benzothiazol-2-yl)-N',N'-dipropylpentanediamide
SMILESCCCN(CCC)C(=O)CCCC(=O)Nc1nc2cc(F)c(F)cc2s1
InChIInChI=1S/C18H23F2N3O2S/c1-3-8-23(9-4-2)17(25)7-5-6-16(24)22-18-21-14-10-12(19)13(20)11-15(14)26-18/h10-11H,3-9H2,1-2H3,(H,21,22,24)
InChIKeyLDFKRTLRXFYARM-UHFFFAOYSA-N
MW383.46 g/mol
LogP4.33
Rot. Bonds9

About N-(5,6-difluoro-1,3-benzothiazol-2-yl)-N',N'-dipropylpentanediamide

N-(5,6-difluoro-1,3-benzothiazol-2-yl)-N',N'-dipropylpentanediamide (PubChem CID 56538986) has the molecular formula C18H23F2N3O2S and a molecular weight of 383.46 g/mol. Its IUPAC name is N-(5,6-difluoro-1,3-benzothiazol-2-yl)-N',N'-dipropylpentanediamide.

Molecular Properties

Compound NameN-(5,6-difluoro-1,3-benzothiazol-2-yl)-N',N'-dipropylpentanediamide
PubChem CID56538986
Molecular FormulaC18H23F2N3O2S
Molecular Weight383.46 g/mol
Exact Mass383.15
IUPAC NameN-(5,6-difluoro-1,3-benzothiazol-2-yl)-N',N'-dipropylpentanediamide
SMILESCCCN(CCC)C(=O)CCCC(=O)Nc1nc2cc(F)c(F)cc2s1
InChIInChI=1S/C18H23F2N3O2S/c1-3-8-23(9-4-2)17(25)7-5-6-16(24)22-18-21-14-10-12(19)13(20)11-15(14)26-18/h10-11H,3-9H2,1-2H3,(H,21,22,24)
InChIKeyLDFKRTLRXFYARM-UHFFFAOYSA-N
XLogP4.33
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.46
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)pentanamide
CID 7202944
3-amino-N-(5,6-difluoro-1,3-benzothiazol-2-yl)butanamide;hydrochloride
CID 119758517
N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-N',N'-dipropylpentanediamide
CID 56549898
N-[2-(1,3-benzothiazol-2-ylamino)ethyl]-N',N'-dipropylpentanediamide
CID 56546359
N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-N',N'-dipropylpentanediamide
CID 56546158
N-(6-fluoro-5-methyl-1,3-benzothiazol-2-yl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide
CID 136569310
N-(6-bromo-1,3-benzothiazol-2-yl)hexanamide
CID 5058354
N-(5,6-difluoro-1,3-benzothiazol-2-yl)benzamide
CID 142741981
2-amino-N-(5,6-difluoro-1,3-benzothiazol-2-yl)-2-methylpropanamide;hydrochloride
CID 119308986
N,N'-bis([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)nonanediamide
CID 43989385
N-(6-bromo-1,3-benzothiazol-2-yl)undecanamide
CID 3680692
N-(3,5-difluoro-4-pyrrolidin-1-ylphenyl)-N',N'-dipropylpentanediamide
CID 56553116

Frequently Asked Questions

What is the IUPAC name of N-(5,6-difluoro-1,3-benzothiazol-2-yl)-N',N'-dipropylpentanediamide?
The IUPAC name of N-(5,6-difluoro-1,3-benzothiazol-2-yl)-N',N'-dipropylpentanediamide (CID 56538986) is N-(5,6-difluoro-1,3-benzothiazol-2-yl)-N',N'-dipropylpentanediamide.
What is the SMILES notation for N-(5,6-difluoro-1,3-benzothiazol-2-yl)-N',N'-dipropylpentanediamide?
The canonical SMILES for N-(5,6-difluoro-1,3-benzothiazol-2-yl)-N',N'-dipropylpentanediamide is CCCN(CCC)C(=O)CCCC(=O)Nc1nc2cc(F)c(F)cc2s1.
What is the InChIKey of N-(5,6-difluoro-1,3-benzothiazol-2-yl)-N',N'-dipropylpentanediamide?
The InChIKey is LDFKRTLRXFYARM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F2N3O2S/c1-3-8-23(9-4-2)17(25)7-5-6-16(24)22-18-21-14-10-12(19)13(20)11-15(14)26-18/h10-11H,3-9H2,1-2H3,(H,21,22,24).
What are the key properties of N-(5,6-difluoro-1,3-benzothiazol-2-yl)-N',N'-dipropylpentanediamide?
N-(5,6-difluoro-1,3-benzothiazol-2-yl)-N',N'-dipropylpentanediamide has a molecular weight of 383.46 g/mol, XLogP of 4.33, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-difluoro-1,3-benzothiazol-2-yl)-N',N'-dipropylpentanediamide is sourced from PubChem (CID 56538986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).