2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)-N-[(1S)-1-thiophen-2-ylethyl]acetamide

C11H14N4O2S — CID 97245769

IUPAC2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)-N-[(1S)-1-thiophen-2-ylethyl]acetamide
SMILESC[C@H](NC(=O)Cn1ncn(C)c1=O)c1cccs1
InChIInChI=1S/C11H14N4O2S/c1-8(9-4-3-5-18-9)13-10(16)6-15-11(17)14(2)7-12-15/h3-5,7-8H,6H2,1-2H3,(H,13,16)/t8-/m0/s1
InChIKeyPVMYIVPFSOJEFU-QMMMGPOBSA-N
MW266.33 g/mol
LogP0.52
Rot. Bonds4

About 2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)-N-[(1S)-1-thiophen-2-ylethyl]acetamide

2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)-N-[(1S)-1-thiophen-2-ylethyl]acetamide (PubChem CID 97245769) has the molecular formula C11H14N4O2S and a molecular weight of 266.33 g/mol. Its IUPAC name is 2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)-N-[(1S)-1-thiophen-2-ylethyl]acetamide.

Molecular Properties

Compound Name2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)-N-[(1S)-1-thiophen-2-ylethyl]acetamide
PubChem CID97245769
Molecular FormulaC11H14N4O2S
Molecular Weight266.33 g/mol
Exact Mass266.08
IUPAC Name2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)-N-[(1S)-1-thiophen-2-ylethyl]acetamide
SMILESC[C@H](NC(=O)Cn1ncn(C)c1=O)c1cccs1
InChIInChI=1S/C11H14N4O2S/c1-8(9-4-3-5-18-9)13-10(16)6-15-11(17)14(2)7-12-15/h3-5,7-8H,6H2,1-2H3,(H,13,16)/t8-/m0/s1
InChIKeyPVMYIVPFSOJEFU-QMMMGPOBSA-N
XLogP0.52
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(1S)-1-thiophen-2-ylethyl]acetamide
CID 8862244
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(1R)-1-thiophen-2-ylethyl]acetamide
CID 8862252
2-(1-tert-butyl-3-methyl-5-oxo-1,2,4-triazol-4-yl)-N-(1-thiophen-2-ylethyl)acetamide
CID 84597865
N-methyl-4-oxo-3-[2-oxo-2-(1-thiophen-2-ylethylamino)ethyl]phthalazine-1-carboxamide
CID 78840085
2-(3-aminopyrazol-1-yl)-N-(1-thiophen-2-ylethyl)acetamide
CID 62102541
2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(1-thiophen-2-ylethyl)acetamide
CID 17446665
N-butan-2-yl-2-[4-[2-oxo-2-(1-thiophen-2-ylethylamino)ethyl]piperazin-1-yl]acetamide
CID 134045399
2-(8-chloro-1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(1-thiophen-2-ylethyl)acetamide
CID 78760067
2-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-N-[(1S)-1-thiophen-2-ylethyl]acetamide
CID 95286898
3-(1,3-dioxoisoindol-2-yl)-N-[(1S)-1-thiophen-2-ylethyl]propanamide
CID 51534434
6-oxo-1-propyl-N-[(1S)-1-thiophen-2-ylethyl]pyridazine-3-carboxamide
CID 31109458
2-(tert-butylamino)-N-[(1S)-1-thiophen-2-ylethyl]acetamide
CID 81408985

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)-N-[(1S)-1-thiophen-2-ylethyl]acetamide?
The IUPAC name of 2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)-N-[(1S)-1-thiophen-2-ylethyl]acetamide (CID 97245769) is 2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)-N-[(1S)-1-thiophen-2-ylethyl]acetamide.
What is the SMILES notation for 2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)-N-[(1S)-1-thiophen-2-ylethyl]acetamide?
The canonical SMILES for 2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)-N-[(1S)-1-thiophen-2-ylethyl]acetamide is C[C@H](NC(=O)Cn1ncn(C)c1=O)c1cccs1.
What is the InChIKey of 2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)-N-[(1S)-1-thiophen-2-ylethyl]acetamide?
The InChIKey is PVMYIVPFSOJEFU-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H14N4O2S/c1-8(9-4-3-5-18-9)13-10(16)6-15-11(17)14(2)7-12-15/h3-5,7-8H,6H2,1-2H3,(H,13,16)/t8-/m0/s1.
What are the key properties of 2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)-N-[(1S)-1-thiophen-2-ylethyl]acetamide?
2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)-N-[(1S)-1-thiophen-2-ylethyl]acetamide has a molecular weight of 266.33 g/mol, XLogP of 0.52, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)-N-[(1S)-1-thiophen-2-ylethyl]acetamide is sourced from PubChem (CID 97245769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).