N-(1,3-benzothiazol-2-yl)-2-(pyridin-2-ylmethylamino)acetamide

C15H14N4OS — CID 17066509

IUPACN-(1,3-benzothiazol-2-yl)-2-(pyridin-2-ylmethylamino)acetamide
SMILESO=C(CNCc1ccccn1)Nc1nc2ccccc2s1
InChIInChI=1S/C15H14N4OS/c20-14(10-16-9-11-5-3-4-8-17-11)19-15-18-12-6-1-2-7-13(12)21-15/h1-8,16H,9-10H2,(H,18,19,20)
InChIKeyLMHNWFNRHBHFMV-UHFFFAOYSA-N
MW298.37 g/mol
LogP2.42
Rot. Bonds5

About N-(1,3-benzothiazol-2-yl)-2-(pyridin-2-ylmethylamino)acetamide

N-(1,3-benzothiazol-2-yl)-2-(pyridin-2-ylmethylamino)acetamide (PubChem CID 17066509) has the molecular formula C15H14N4OS and a molecular weight of 298.37 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-2-(pyridin-2-ylmethylamino)acetamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-2-(pyridin-2-ylmethylamino)acetamide
PubChem CID17066509
Molecular FormulaC15H14N4OS
Molecular Weight298.37 g/mol
Exact Mass298.09
IUPAC NameN-(1,3-benzothiazol-2-yl)-2-(pyridin-2-ylmethylamino)acetamide
SMILESO=C(CNCc1ccccn1)Nc1nc2ccccc2s1
InChIInChI=1S/C15H14N4OS/c20-14(10-16-9-11-5-3-4-8-17-11)19-15-18-12-6-1-2-7-13(12)21-15/h1-8,16H,9-10H2,(H,18,19,20)
InChIKeyLMHNWFNRHBHFMV-UHFFFAOYSA-N
XLogP2.42
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(pyridin-2-ylmethyl)-1,3-benzothiazol-2-amine
CID 42281689
N-(1,3-benzothiazol-2-yl)-2-(2-pyridin-2-ylbenzimidazol-1-yl)acetamide
CID 30867708
N-(1,3-benzothiazol-2-yl)-2-(2-methoxyethylamino)acetamide
CID 44753805
N-(1,3-benzothiazol-2-yl)-2-(tert-butylamino)acetamide
CID 47840976
N-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]propanamide
CID 47412721
1-(1,3-benzothiazol-2-yl)-3-pyridin-2-ylurea
CID 110491805
3-amino-N-(1,3-benzothiazol-2-yl)-3-sulfanylidenepropanamide
CID 43120469
N-(1,3-benzothiazol-2-yl)-2-nitrosoacetamide
CID 91592084
N,N'-bis(1,3-benzothiazol-2-yl)oxamide
CID 591706
N-(1,3-benzothiazol-2-yl)-3,3-dimethylbutanamide
CID 710830
ethyl 3-(1,3-benzothiazol-2-ylamino)-3-oxopropanoate
CID 790147
6-(1,3-benzothiazol-2-ylamino)-6-oxohexanoate
CID 2063722

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-2-(pyridin-2-ylmethylamino)acetamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-2-(pyridin-2-ylmethylamino)acetamide (CID 17066509) is N-(1,3-benzothiazol-2-yl)-2-(pyridin-2-ylmethylamino)acetamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-2-(pyridin-2-ylmethylamino)acetamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-2-(pyridin-2-ylmethylamino)acetamide is O=C(CNCc1ccccn1)Nc1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-2-(pyridin-2-ylmethylamino)acetamide?
The InChIKey is LMHNWFNRHBHFMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4OS/c20-14(10-16-9-11-5-3-4-8-17-11)19-15-18-12-6-1-2-7-13(12)21-15/h1-8,16H,9-10H2,(H,18,19,20).
What are the key properties of N-(1,3-benzothiazol-2-yl)-2-(pyridin-2-ylmethylamino)acetamide?
N-(1,3-benzothiazol-2-yl)-2-(pyridin-2-ylmethylamino)acetamide has a molecular weight of 298.37 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-2-(pyridin-2-ylmethylamino)acetamide is sourced from PubChem (CID 17066509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).