2-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]acetamide

C17H20N6O2S — CID 91771393

IUPAC2-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]acetamide
SMILESCc1cc(=O)n2[nH]c(CC(=O)NCCc3nc4c(s3)CCCC4)nc2n1
InChIInChI=1S/C17H20N6O2S/c1-10-8-16(25)23-17(19-10)21-13(22-23)9-14(24)18-7-6-15-20-11-4-2-3-5-12(11)26-15/h8H,2-7,9H2,1H3,(H,18,24)(H,19,21,22)
InChIKeyRHCFBXMCTFRDCE-UHFFFAOYSA-N
MW372.45 g/mol
LogP0.96
Rot. Bonds5

About 2-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]acetamide

2-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]acetamide (PubChem CID 91771393) has the molecular formula C17H20N6O2S and a molecular weight of 372.45 g/mol. Its IUPAC name is 2-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]acetamide
PubChem CID91771393
Molecular FormulaC17H20N6O2S
Molecular Weight372.45 g/mol
Exact Mass372.14
IUPAC Name2-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]acetamide
SMILESCc1cc(=O)n2[nH]c(CC(=O)NCCc3nc4c(s3)CCCC4)nc2n1
InChIInChI=1S/C17H20N6O2S/c1-10-8-16(25)23-17(19-10)21-13(22-23)9-14(24)18-7-6-15-20-11-4-2-3-5-12(11)26-15/h8H,2-7,9H2,1H3,(H,18,24)(H,19,21,22)
InChIKeyRHCFBXMCTFRDCE-UHFFFAOYSA-N
XLogP0.96
TPSA105.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]acetamide?
The IUPAC name of 2-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]acetamide (CID 91771393) is 2-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]acetamide?
The canonical SMILES for 2-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]acetamide is Cc1cc(=O)n2[nH]c(CC(=O)NCCc3nc4c(s3)CCCC4)nc2n1.
What is the InChIKey of 2-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]acetamide?
The InChIKey is RHCFBXMCTFRDCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O2S/c1-10-8-16(25)23-17(19-10)21-13(22-23)9-14(24)18-7-6-15-20-11-4-2-3-5-12(11)26-15/h8H,2-7,9H2,1H3,(H,18,24)(H,19,21,22).
What are the key properties of 2-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]acetamide?
2-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]acetamide has a molecular weight of 372.45 g/mol, XLogP of 0.96, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]acetamide is sourced from PubChem (CID 91771393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).