N-[2-(1,3-benzothiazol-2-ylamino)ethyl]-2-(2-oxo-1-pyridinyl)acetamide

C16H16N4O2S — CID 47027911

IUPACN-[2-(1,3-benzothiazol-2-ylamino)ethyl]-2-(2-oxo-1-pyridinyl)acetamide
SMILESO=C(Cn1ccccc1=O)NCCNc1nc2ccccc2s1
InChIInChI=1S/C16H16N4O2S/c21-14(11-20-10-4-3-7-15(20)22)17-8-9-18-16-19-12-5-1-2-6-13(12)23-16/h1-7,10H,8-9,11H2,(H,17,21)(H,18,19)
InChIKeyFIWRDGSDSDMXLT-UHFFFAOYSA-N
MW328.40 g/mol
LogP1.69
Rot. Bonds6

About N-[2-(1,3-benzothiazol-2-ylamino)ethyl]-2-(2-oxo-1-pyridinyl)acetamide

N-[2-(1,3-benzothiazol-2-ylamino)ethyl]-2-(2-oxo-1-pyridinyl)acetamide (PubChem CID 47027911) has the molecular formula C16H16N4O2S and a molecular weight of 328.40 g/mol. Its IUPAC name is N-[2-(1,3-benzothiazol-2-ylamino)ethyl]-2-(2-oxo-1-pyridinyl)acetamide.

Molecular Properties

Compound NameN-[2-(1,3-benzothiazol-2-ylamino)ethyl]-2-(2-oxo-1-pyridinyl)acetamide
PubChem CID47027911
Molecular FormulaC16H16N4O2S
Molecular Weight328.40 g/mol
Exact Mass328.10
IUPAC NameN-[2-(1,3-benzothiazol-2-ylamino)ethyl]-2-(2-oxo-1-pyridinyl)acetamide
SMILESO=C(Cn1ccccc1=O)NCCNc1nc2ccccc2s1
InChIInChI=1S/C16H16N4O2S/c21-14(11-20-10-4-3-7-15(20)22)17-8-9-18-16-19-12-5-1-2-6-13(12)23-16/h1-7,10H,8-9,11H2,(H,17,21)(H,18,19)
InChIKeyFIWRDGSDSDMXLT-UHFFFAOYSA-N
XLogP1.69
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.40
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(1,3-benzothiazol-2-yl)-2-(2-oxo-1-pyridinyl)acetamide
CID 8571610
N-[2-(1,3-benzothiazol-2-ylamino)ethyl]-3,3-dimethylbutanamide
CID 47165966
N-[2-(1,3-benzothiazol-2-ylamino)ethyl]-2-(methylamino)acetamide
CID 120703645
4-(1,3-benzothiazol-2-yl)-N-[2-(1,3-benzothiazol-2-ylamino)ethyl]butanamide
CID 55601271
N-[2-(1,3-benzothiazol-2-ylamino)ethyl]-2-(6-methyl-3-pyridinyl)acetamide
CID 51089603
N-(4-methyl-1,3-benzothiazol-2-yl)-2-(2-oxo-1-pyridinyl)acetamide
CID 24644824
N-(1,3-benzothiazol-2-yl)-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]propanamide
CID 126478675
N-[2-(1,3-benzothiazol-2-ylamino)ethyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 55636454
(2S)-N-[2-(1,3-benzothiazol-2-ylamino)ethyl]-2-ethoxypropanamide
CID 94809192
N-[2-(1,3-benzothiazol-2-ylamino)ethyl]-N',N'-dipropylpentanediamide
CID 56546359
N-[2-(1,3-benzothiazol-2-ylamino)ethyl]-2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetamide
CID 98785876
N-[2-(1,3-benzothiazol-2-ylamino)ethyl]-4-(3-ethyl-1,2,4-oxadiazol-5-yl)butanamide
CID 55853602

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzothiazol-2-ylamino)ethyl]-2-(2-oxo-1-pyridinyl)acetamide?
The IUPAC name of N-[2-(1,3-benzothiazol-2-ylamino)ethyl]-2-(2-oxo-1-pyridinyl)acetamide (CID 47027911) is N-[2-(1,3-benzothiazol-2-ylamino)ethyl]-2-(2-oxo-1-pyridinyl)acetamide.
What is the SMILES notation for N-[2-(1,3-benzothiazol-2-ylamino)ethyl]-2-(2-oxo-1-pyridinyl)acetamide?
The canonical SMILES for N-[2-(1,3-benzothiazol-2-ylamino)ethyl]-2-(2-oxo-1-pyridinyl)acetamide is O=C(Cn1ccccc1=O)NCCNc1nc2ccccc2s1.
What is the InChIKey of N-[2-(1,3-benzothiazol-2-ylamino)ethyl]-2-(2-oxo-1-pyridinyl)acetamide?
The InChIKey is FIWRDGSDSDMXLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2S/c21-14(11-20-10-4-3-7-15(20)22)17-8-9-18-16-19-12-5-1-2-6-13(12)23-16/h1-7,10H,8-9,11H2,(H,17,21)(H,18,19).
What are the key properties of N-[2-(1,3-benzothiazol-2-ylamino)ethyl]-2-(2-oxo-1-pyridinyl)acetamide?
N-[2-(1,3-benzothiazol-2-ylamino)ethyl]-2-(2-oxo-1-pyridinyl)acetamide has a molecular weight of 328.40 g/mol, XLogP of 1.69, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-benzothiazol-2-ylamino)ethyl]-2-(2-oxo-1-pyridinyl)acetamide is sourced from PubChem (CID 47027911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).