2-[(5-amino-4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]acetamide

C15H21N5OS2 — CID 52505836

IUPAC2-[(5-amino-4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]acetamide
SMILESCC(C)[C@@H](NC(=O)CSc1nnc(N)n1C1CC1)c1cccs1
InChIInChI=1S/C15H21N5OS2/c1-9(2)13(11-4-3-7-22-11)17-12(21)8-23-15-19-18-14(16)20(15)10-5-6-10/h3-4,7,9-10,13H,5-6,8H2,1-2H3,(H2,16,18)(H,17,21)/t13-/m1/s1
InChIKeyHZNSZOCSSIBILC-CYBMUJFWSA-N
MW351.50 g/mol
LogP2.86
Rot. Bonds7

About 2-[(5-amino-4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]acetamide

2-[(5-amino-4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]acetamide (PubChem CID 52505836) has the molecular formula C15H21N5OS2 and a molecular weight of 351.50 g/mol. Its IUPAC name is 2-[(5-amino-4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]acetamide.

Molecular Properties

Compound Name2-[(5-amino-4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]acetamide
PubChem CID52505836
Molecular FormulaC15H21N5OS2
Molecular Weight351.50 g/mol
Exact Mass351.12
IUPAC Name2-[(5-amino-4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]acetamide
SMILESCC(C)[C@@H](NC(=O)CSc1nnc(N)n1C1CC1)c1cccs1
InChIInChI=1S/C15H21N5OS2/c1-9(2)13(11-4-3-7-22-11)17-12(21)8-23-15-19-18-14(16)20(15)10-5-6-10/h3-4,7,9-10,13H,5-6,8H2,1-2H3,(H2,16,18)(H,17,21)/t13-/m1/s1
InChIKeyHZNSZOCSSIBILC-CYBMUJFWSA-N
XLogP2.86
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.50
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-aminophenyl)sulfanyl-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide
CID 43298965
2-[(5-amino-4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[1-(4-chlorophenyl)propyl]acetamide
CID 47025945
2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide
CID 46667554
N-(2-methyl-1-thiophen-2-ylpropyl)-2-pyrimidin-2-ylsulfanylacetamide
CID 24569521
2-[[4-cyclopropyl-5-(4-methylpiperidin-1-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-[phenyl(thiophen-2-yl)methyl]acetamide
CID 16586652
methyl (2S,3S)-2-[[2-[[4-cyclopropyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-3-methylpentanoate
CID 8645016
2-[[4-cyclopropyl-5-(1H-indol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(1S)-1-thiophen-2-ylethyl]acetamide
CID 135939180
2-[[4-cyclopropyl-5-(1H-indol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(1R)-1-thiophen-2-ylethyl]acetamide
CID 135939179
2-[[5-(4-methylpiperidin-1-yl)-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide
CID 24601705
2-[(5-amino-4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-bromophenyl)acetamide
CID 38667290
2-[[4-cyclohexyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(2R)-pentan-2-yl]acetamide
CID 2623436
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]acetamide
CID 46588445

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]acetamide?
The IUPAC name of 2-[(5-amino-4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]acetamide (CID 52505836) is 2-[(5-amino-4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]acetamide.
What is the SMILES notation for 2-[(5-amino-4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]acetamide?
The canonical SMILES for 2-[(5-amino-4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]acetamide is CC(C)[C@@H](NC(=O)CSc1nnc(N)n1C1CC1)c1cccs1.
What is the InChIKey of 2-[(5-amino-4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]acetamide?
The InChIKey is HZNSZOCSSIBILC-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H21N5OS2/c1-9(2)13(11-4-3-7-22-11)17-12(21)8-23-15-19-18-14(16)20(15)10-5-6-10/h3-4,7,9-10,13H,5-6,8H2,1-2H3,(H2,16,18)(H,17,21)/t13-/m1/s1.
What are the key properties of 2-[(5-amino-4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]acetamide?
2-[(5-amino-4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]acetamide has a molecular weight of 351.50 g/mol, XLogP of 2.86, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]acetamide is sourced from PubChem (CID 52505836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).