2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)-N-[(2R)-1-thiophen-2-ylpropan-2-yl]acetamide

C11H14N4O2S — CID 137086700

IUPAC2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)-N-[(2R)-1-thiophen-2-ylpropan-2-yl]acetamide
SMILESC[C@H](Cc1cccs1)NC(=O)Cc1n[nH]c(=O)[nH]1
InChIInChI=1S/C11H14N4O2S/c1-7(5-8-3-2-4-18-8)12-10(16)6-9-13-11(17)15-14-9/h2-4,7H,5-6H2,1H3,(H,12,16)(H2,13,14,15,17)/t7-/m1/s1
InChIKeyKTZRHNMWMFKYBZ-SSDOTTSWSA-N
MW266.33 g/mol
LogP0.45
Rot. Bonds5

About 2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)-N-[(2R)-1-thiophen-2-ylpropan-2-yl]acetamide

2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)-N-[(2R)-1-thiophen-2-ylpropan-2-yl]acetamide (PubChem CID 137086700) has the molecular formula C11H14N4O2S and a molecular weight of 266.33 g/mol. Its IUPAC name is 2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)-N-[(2R)-1-thiophen-2-ylpropan-2-yl]acetamide.

Molecular Properties

Compound Name2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)-N-[(2R)-1-thiophen-2-ylpropan-2-yl]acetamide
PubChem CID137086700
Molecular FormulaC11H14N4O2S
Molecular Weight266.33 g/mol
Exact Mass266.08
IUPAC Name2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)-N-[(2R)-1-thiophen-2-ylpropan-2-yl]acetamide
SMILESC[C@H](Cc1cccs1)NC(=O)Cc1n[nH]c(=O)[nH]1
InChIInChI=1S/C11H14N4O2S/c1-7(5-8-3-2-4-18-8)12-10(16)6-9-13-11(17)15-14-9/h2-4,7H,5-6H2,1H3,(H,12,16)(H2,13,14,15,17)/t7-/m1/s1
InChIKeyKTZRHNMWMFKYBZ-SSDOTTSWSA-N
XLogP0.45
TPSA90.64 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(propan-2-ylamino)-N-(1-thiophen-2-ylpropan-2-yl)acetamide
CID 60842186
3-bromo-N-(1-thiophen-2-ylpropan-2-yl)propanamide
CID 82110960
2-(4-chlorophenoxy)-N-[(2R)-1-thiophen-2-ylpropan-2-yl]acetamide
CID 2330945
methyl 2-[2-oxo-2-[[(2S)-1-thiophen-2-ylpropan-2-yl]amino]ethyl]benzoate
CID 97254848
2-(3-methoxyphenyl)-N-[(2R)-1-thiophen-2-ylpropan-2-yl]acetamide
CID 51895007
N-[(2R)-1-hydroxypropan-2-yl]-2-thiophen-2-ylacetamide
CID 39086744
6-oxo-N-(1-thiophen-2-ylpropan-2-yl)-1H-pyridine-2-carboxamide
CID 107261945
N-(1-chloropropan-2-yl)-2-thiophen-2-ylacetamide
CID 114299702
4-(4-fluorophenyl)-4-oxo-N-(1-thiophen-2-ylpropan-2-yl)butanamide
CID 86930480
1-(thiophen-2-ylmethyl)-3-(1-thiophen-2-ylpropan-2-yl)urea
CID 45497246
N-[(2R)-1-thiophen-2-ylpropan-2-yl]cyclobutanecarboxamide
CID 51897806
(3R)-3-amino-3-phenyl-N-[(2R)-1-thiophen-2-ylpropan-2-yl]propanamide
CID 93267307

Frequently Asked Questions

What is the IUPAC name of 2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)-N-[(2R)-1-thiophen-2-ylpropan-2-yl]acetamide?
The IUPAC name of 2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)-N-[(2R)-1-thiophen-2-ylpropan-2-yl]acetamide (CID 137086700) is 2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)-N-[(2R)-1-thiophen-2-ylpropan-2-yl]acetamide.
What is the SMILES notation for 2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)-N-[(2R)-1-thiophen-2-ylpropan-2-yl]acetamide?
The canonical SMILES for 2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)-N-[(2R)-1-thiophen-2-ylpropan-2-yl]acetamide is C[C@H](Cc1cccs1)NC(=O)Cc1n[nH]c(=O)[nH]1.
What is the InChIKey of 2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)-N-[(2R)-1-thiophen-2-ylpropan-2-yl]acetamide?
The InChIKey is KTZRHNMWMFKYBZ-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H14N4O2S/c1-7(5-8-3-2-4-18-8)12-10(16)6-9-13-11(17)15-14-9/h2-4,7H,5-6H2,1H3,(H,12,16)(H2,13,14,15,17)/t7-/m1/s1.
What are the key properties of 2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)-N-[(2R)-1-thiophen-2-ylpropan-2-yl]acetamide?
2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)-N-[(2R)-1-thiophen-2-ylpropan-2-yl]acetamide has a molecular weight of 266.33 g/mol, XLogP of 0.45, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)-N-[(2R)-1-thiophen-2-ylpropan-2-yl]acetamide is sourced from PubChem (CID 137086700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).