N-(1,3-benzothiazol-2-yl)-5-hydroxypentanamide

C12H14N2O2S — CID 79198900

IUPACN-(1,3-benzothiazol-2-yl)-5-hydroxypentanamide
SMILESO=C(CCCCO)Nc1nc2ccccc2s1
InChIInChI=1S/C12H14N2O2S/c15-8-4-3-7-11(16)14-12-13-9-5-1-2-6-10(9)17-12/h1-2,5-6,15H,3-4,7-8H2,(H,13,14,16)
InChIKeySIKFEACQHHLSJD-UHFFFAOYSA-N
MW250.32 g/mol
LogP2.40
Rot. Bonds5

About N-(1,3-benzothiazol-2-yl)-5-hydroxypentanamide

N-(1,3-benzothiazol-2-yl)-5-hydroxypentanamide (PubChem CID 79198900) has the molecular formula C12H14N2O2S and a molecular weight of 250.32 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-5-hydroxypentanamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-5-hydroxypentanamide
PubChem CID79198900
Molecular FormulaC12H14N2O2S
Molecular Weight250.32 g/mol
Exact Mass250.08
IUPAC NameN-(1,3-benzothiazol-2-yl)-5-hydroxypentanamide
SMILESO=C(CCCCO)Nc1nc2ccccc2s1
InChIInChI=1S/C12H14N2O2S/c15-8-4-3-7-11(16)14-12-13-9-5-1-2-6-10(9)17-12/h1-2,5-6,15H,3-4,7-8H2,(H,13,14,16)
InChIKeySIKFEACQHHLSJD-UHFFFAOYSA-N
XLogP2.40
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-(1,3-benzothiazol-2-ylamino)-6-oxohexanoate
CID 2063722
N-(1,3-benzothiazol-2-yl)-4-trimethylsilylbutanamide
CID 53439401
N-(1,3-benzothiazol-2-yl)-3,3-dimethylbutanamide
CID 710830
N-(1,3-benzothiazol-2-yl)-2-[bis(2-hydroxyethyl)amino]acetamide
CID 60686532
N-(1,3-benzothiazol-2-yl)-3-(2-hydroxyphenyl)propanamide
CID 51284522
N-(1,3-benzothiazol-2-yl)-5-(dithiolan-3-yl)pentanamide
CID 24644798
3-amino-N-(1,3-benzothiazol-2-yl)-3-sulfanylidenepropanamide
CID 43120469
N-(1,3-benzothiazol-2-yl)-2-nitrosoacetamide
CID 91592084
prop-2-enyl 4-(1,3-benzothiazol-2-ylamino)-4-oxobutanoate
CID 2304671
N-(1,3-benzothiazol-2-yl)-3-[butyl(methyl)amino]propanamide
CID 108806837
N,N'-bis(1,3-benzothiazol-2-yl)oxamide
CID 591706
3-(4-aminophenyl)-N-(1,3-benzothiazol-2-yl)propanamide
CID 61037275

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-5-hydroxypentanamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-5-hydroxypentanamide (CID 79198900) is N-(1,3-benzothiazol-2-yl)-5-hydroxypentanamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-5-hydroxypentanamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-5-hydroxypentanamide is O=C(CCCCO)Nc1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-5-hydroxypentanamide?
The InChIKey is SIKFEACQHHLSJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2S/c15-8-4-3-7-11(16)14-12-13-9-5-1-2-6-10(9)17-12/h1-2,5-6,15H,3-4,7-8H2,(H,13,14,16).
What are the key properties of N-(1,3-benzothiazol-2-yl)-5-hydroxypentanamide?
N-(1,3-benzothiazol-2-yl)-5-hydroxypentanamide has a molecular weight of 250.32 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-5-hydroxypentanamide is sourced from PubChem (CID 79198900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).