2-(1,3-benzothiazol-2-ylsulfanyl)-N-pyrimidin-2-ylacetamide

C13H10N4OS2 — CID 665184

IUPAC2-(1,3-benzothiazol-2-ylsulfanyl)-N-pyrimidin-2-ylacetamide
SMILESO=C(CSc1nc2ccccc2s1)Nc1ncccn1
InChIInChI=1S/C13H10N4OS2/c18-11(17-12-14-6-3-7-15-12)8-19-13-16-9-4-1-2-5-10(9)20-13/h1-7H,8H2,(H,14,15,17,18)
InChIKeyYALAFJCQBRIWRE-UHFFFAOYSA-N
MW302.38 g/mol
LogP2.82
Rot. Bonds4

About 2-(1,3-benzothiazol-2-ylsulfanyl)-N-pyrimidin-2-ylacetamide

2-(1,3-benzothiazol-2-ylsulfanyl)-N-pyrimidin-2-ylacetamide (PubChem CID 665184) has the molecular formula C13H10N4OS2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-2-ylsulfanyl)-N-pyrimidin-2-ylacetamide.

Molecular Properties

Compound Name2-(1,3-benzothiazol-2-ylsulfanyl)-N-pyrimidin-2-ylacetamide
PubChem CID665184
Molecular FormulaC13H10N4OS2
Molecular Weight302.38 g/mol
Exact Mass302.03
IUPAC Name2-(1,3-benzothiazol-2-ylsulfanyl)-N-pyrimidin-2-ylacetamide
SMILESO=C(CSc1nc2ccccc2s1)Nc1ncccn1
InChIInChI=1S/C13H10N4OS2/c18-11(17-12-14-6-3-7-15-12)8-19-13-16-9-4-1-2-5-10(9)20-13/h1-7H,8H2,(H,14,15,17,18)
InChIKeyYALAFJCQBRIWRE-UHFFFAOYSA-N
XLogP2.82
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-pyrimidin-2-ylacetamide?
The IUPAC name of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-pyrimidin-2-ylacetamide (CID 665184) is 2-(1,3-benzothiazol-2-ylsulfanyl)-N-pyrimidin-2-ylacetamide.
What is the SMILES notation for 2-(1,3-benzothiazol-2-ylsulfanyl)-N-pyrimidin-2-ylacetamide?
The canonical SMILES for 2-(1,3-benzothiazol-2-ylsulfanyl)-N-pyrimidin-2-ylacetamide is O=C(CSc1nc2ccccc2s1)Nc1ncccn1.
What is the InChIKey of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-pyrimidin-2-ylacetamide?
The InChIKey is YALAFJCQBRIWRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4OS2/c18-11(17-12-14-6-3-7-15-12)8-19-13-16-9-4-1-2-5-10(9)20-13/h1-7H,8H2,(H,14,15,17,18).
What are the key properties of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-pyrimidin-2-ylacetamide?
2-(1,3-benzothiazol-2-ylsulfanyl)-N-pyrimidin-2-ylacetamide has a molecular weight of 302.38 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzothiazol-2-ylsulfanyl)-N-pyrimidin-2-ylacetamide is sourced from PubChem (CID 665184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).