N-[3-(7-thiophen-2-yl-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)phenyl]acetamide

C17H15N5OS — CID 75634135

IUPACN-[3-(7-thiophen-2-yl-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)phenyl]acetamide
SMILESCC(=O)Nc1cccc(C2=Nc3ncnn3C(c3cccs3)C2)c1
InChIInChI=1S/C17H15N5OS/c1-11(23)20-13-5-2-4-12(8-13)14-9-15(16-6-3-7-24-16)22-17(21-14)18-10-19-22/h2-8,10,15H,9H2,1H3,(H,20,23)
InChIKeyGGMTVXRIMZJOOR-UHFFFAOYSA-N
MW337.41 g/mol
LogP3.41
Rot. Bonds3

About N-[3-(7-thiophen-2-yl-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)phenyl]acetamide

N-[3-(7-thiophen-2-yl-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)phenyl]acetamide (PubChem CID 75634135) has the molecular formula C17H15N5OS and a molecular weight of 337.41 g/mol. Its IUPAC name is N-[3-(7-thiophen-2-yl-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[3-(7-thiophen-2-yl-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)phenyl]acetamide
PubChem CID75634135
Molecular FormulaC17H15N5OS
Molecular Weight337.41 g/mol
Exact Mass337.10
IUPAC NameN-[3-(7-thiophen-2-yl-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)phenyl]acetamide
SMILESCC(=O)Nc1cccc(C2=Nc3ncnn3C(c3cccs3)C2)c1
InChIInChI=1S/C17H15N5OS/c1-11(23)20-13-5-2-4-12(8-13)14-9-15(16-6-3-7-24-16)22-17(21-14)18-10-19-22/h2-8,10,15H,9H2,1H3,(H,20,23)
InChIKeyGGMTVXRIMZJOOR-UHFFFAOYSA-N
XLogP3.41
TPSA72.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.41
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[(3S)-2-acetyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl]phenyl]acetamide
CID 40819667
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CID 992966
N-[3-[(3S)-2-benzoyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide
CID 40942906
N-[3-[(3R)-2-(2-chloroacetyl)-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide
CID 30886618
N-[4-[2-(benzenesulfonyl)-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl]phenyl]acetamide
CID 42956565
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CID 51934837
(3S)-5-(3-methylphenyl)-2-methylsulfonyl-3-thiophen-2-yl-3,4-dihydropyrazole
CID 124740412
N-[3-[2-acetyl-3-(3-fluorophenyl)-3,4-dihydropyrazol-5-yl]phenyl]acetamide
CID 71844547
N-(5-thiophen-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)acetamide
CID 110455806
N-[3-[2-(3-chlorophenyl)sulfonyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl]phenyl]ethanesulfonamide
CID 91653519
N-[3-[(3S)-2-(3-chlorophenyl)sulfonyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl]phenyl]ethanesulfonamide
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Frequently Asked Questions

What is the IUPAC name of N-[3-(7-thiophen-2-yl-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)phenyl]acetamide?
The IUPAC name of N-[3-(7-thiophen-2-yl-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)phenyl]acetamide (CID 75634135) is N-[3-(7-thiophen-2-yl-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)phenyl]acetamide.
What is the SMILES notation for N-[3-(7-thiophen-2-yl-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)phenyl]acetamide?
The canonical SMILES for N-[3-(7-thiophen-2-yl-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)phenyl]acetamide is CC(=O)Nc1cccc(C2=Nc3ncnn3C(c3cccs3)C2)c1.
What is the InChIKey of N-[3-(7-thiophen-2-yl-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)phenyl]acetamide?
The InChIKey is GGMTVXRIMZJOOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5OS/c1-11(23)20-13-5-2-4-12(8-13)14-9-15(16-6-3-7-24-16)22-17(21-14)18-10-19-22/h2-8,10,15H,9H2,1H3,(H,20,23).
What are the key properties of N-[3-(7-thiophen-2-yl-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)phenyl]acetamide?
N-[3-(7-thiophen-2-yl-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)phenyl]acetamide has a molecular weight of 337.41 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(7-thiophen-2-yl-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)phenyl]acetamide is sourced from PubChem (CID 75634135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).