N-[3-[3-(1,3-benzothiazol-6-yl)-2-oxoimidazolidin-1-yl]-4-pyridinyl]acetamide

C17H15N5O2S — CID 59636268

IUPACN-[3-[3-(1,3-benzothiazol-6-yl)-2-oxoimidazolidin-1-yl]-4-pyridinyl]acetamide
SMILESCC(=O)Nc1ccncc1N1CCN(c2ccc3ncsc3c2)C1=O
InChIInChI=1S/C17H15N5O2S/c1-11(23)20-13-4-5-18-9-15(13)22-7-6-21(17(22)24)12-2-3-14-16(8-12)25-10-19-14/h2-5,8-10H,6-7H2,1H3,(H,18,20,23)
InChIKeyBLKMPELUOVTGNV-UHFFFAOYSA-N
MW353.41 g/mol
LogP3.10
Rot. Bonds3

About N-[3-[3-(1,3-benzothiazol-6-yl)-2-oxoimidazolidin-1-yl]-4-pyridinyl]acetamide

N-[3-[3-(1,3-benzothiazol-6-yl)-2-oxoimidazolidin-1-yl]-4-pyridinyl]acetamide (PubChem CID 59636268) has the molecular formula C17H15N5O2S and a molecular weight of 353.41 g/mol. Its IUPAC name is N-[3-[3-(1,3-benzothiazol-6-yl)-2-oxoimidazolidin-1-yl]-4-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[3-[3-(1,3-benzothiazol-6-yl)-2-oxoimidazolidin-1-yl]-4-pyridinyl]acetamide
PubChem CID59636268
Molecular FormulaC17H15N5O2S
Molecular Weight353.41 g/mol
Exact Mass353.09
IUPAC NameN-[3-[3-(1,3-benzothiazol-6-yl)-2-oxoimidazolidin-1-yl]-4-pyridinyl]acetamide
SMILESCC(=O)Nc1ccncc1N1CCN(c2ccc3ncsc3c2)C1=O
InChIInChI=1S/C17H15N5O2S/c1-11(23)20-13-4-5-18-9-15(13)22-7-6-21(17(22)24)12-2-3-14-16(8-12)25-10-19-14/h2-5,8-10H,6-7H2,1H3,(H,18,20,23)
InChIKeyBLKMPELUOVTGNV-UHFFFAOYSA-N
XLogP3.10
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.41
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(1,3-benzothiazol-6-yl)-2-oxoimidazolidin-1-yl]-4-pyridinyl]acetamide?
The IUPAC name of N-[3-[3-(1,3-benzothiazol-6-yl)-2-oxoimidazolidin-1-yl]-4-pyridinyl]acetamide (CID 59636268) is N-[3-[3-(1,3-benzothiazol-6-yl)-2-oxoimidazolidin-1-yl]-4-pyridinyl]acetamide.
What is the SMILES notation for N-[3-[3-(1,3-benzothiazol-6-yl)-2-oxoimidazolidin-1-yl]-4-pyridinyl]acetamide?
The canonical SMILES for N-[3-[3-(1,3-benzothiazol-6-yl)-2-oxoimidazolidin-1-yl]-4-pyridinyl]acetamide is CC(=O)Nc1ccncc1N1CCN(c2ccc3ncsc3c2)C1=O.
What is the InChIKey of N-[3-[3-(1,3-benzothiazol-6-yl)-2-oxoimidazolidin-1-yl]-4-pyridinyl]acetamide?
The InChIKey is BLKMPELUOVTGNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O2S/c1-11(23)20-13-4-5-18-9-15(13)22-7-6-21(17(22)24)12-2-3-14-16(8-12)25-10-19-14/h2-5,8-10H,6-7H2,1H3,(H,18,20,23).
What are the key properties of N-[3-[3-(1,3-benzothiazol-6-yl)-2-oxoimidazolidin-1-yl]-4-pyridinyl]acetamide?
N-[3-[3-(1,3-benzothiazol-6-yl)-2-oxoimidazolidin-1-yl]-4-pyridinyl]acetamide has a molecular weight of 353.41 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(1,3-benzothiazol-6-yl)-2-oxoimidazolidin-1-yl]-4-pyridinyl]acetamide is sourced from PubChem (CID 59636268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).