N-[6-(2-aminopyrimidin-5-yl)-1,3-benzothiazol-2-yl]acetamide

C13H11N5OS — CID 59251938

IUPACN-[6-(2-aminopyrimidin-5-yl)-1,3-benzothiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc2ccc(-c3cnc(N)nc3)cc2s1
InChIInChI=1S/C13H11N5OS/c1-7(19)17-13-18-10-3-2-8(4-11(10)20-13)9-5-15-12(14)16-6-9/h2-6H,1H3,(H2,14,15,16)(H,17,18,19)
InChIKeyQMXXNFATNSQFMB-UHFFFAOYSA-N
MW285.33 g/mol
LogP2.29
Rot. Bonds2

About N-[6-(2-aminopyrimidin-5-yl)-1,3-benzothiazol-2-yl]acetamide

N-[6-(2-aminopyrimidin-5-yl)-1,3-benzothiazol-2-yl]acetamide (PubChem CID 59251938) has the molecular formula C13H11N5OS and a molecular weight of 285.33 g/mol. Its IUPAC name is N-[6-(2-aminopyrimidin-5-yl)-1,3-benzothiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[6-(2-aminopyrimidin-5-yl)-1,3-benzothiazol-2-yl]acetamide
PubChem CID59251938
Molecular FormulaC13H11N5OS
Molecular Weight285.33 g/mol
Exact Mass285.07
IUPAC NameN-[6-(2-aminopyrimidin-5-yl)-1,3-benzothiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc2ccc(-c3cnc(N)nc3)cc2s1
InChIInChI=1S/C13H11N5OS/c1-7(19)17-13-18-10-3-2-8(4-11(10)20-13)9-5-15-12(14)16-6-9/h2-6H,1H3,(H2,14,15,16)(H,17,18,19)
InChIKeyQMXXNFATNSQFMB-UHFFFAOYSA-N
XLogP2.29
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[6-(2-aminopyrimidin-5-yl)-1,3-benzothiazol-2-yl]acetamide?
The IUPAC name of N-[6-(2-aminopyrimidin-5-yl)-1,3-benzothiazol-2-yl]acetamide (CID 59251938) is N-[6-(2-aminopyrimidin-5-yl)-1,3-benzothiazol-2-yl]acetamide.
What is the SMILES notation for N-[6-(2-aminopyrimidin-5-yl)-1,3-benzothiazol-2-yl]acetamide?
The canonical SMILES for N-[6-(2-aminopyrimidin-5-yl)-1,3-benzothiazol-2-yl]acetamide is CC(=O)Nc1nc2ccc(-c3cnc(N)nc3)cc2s1.
What is the InChIKey of N-[6-(2-aminopyrimidin-5-yl)-1,3-benzothiazol-2-yl]acetamide?
The InChIKey is QMXXNFATNSQFMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5OS/c1-7(19)17-13-18-10-3-2-8(4-11(10)20-13)9-5-15-12(14)16-6-9/h2-6H,1H3,(H2,14,15,16)(H,17,18,19).
What are the key properties of N-[6-(2-aminopyrimidin-5-yl)-1,3-benzothiazol-2-yl]acetamide?
N-[6-(2-aminopyrimidin-5-yl)-1,3-benzothiazol-2-yl]acetamide has a molecular weight of 285.33 g/mol, XLogP of 2.29, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-aminopyrimidin-5-yl)-1,3-benzothiazol-2-yl]acetamide is sourced from PubChem (CID 59251938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).