N-[(1R)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]-2-pyrimidin-2-ylsulfanylacetamide

C13H18N6OS — CID 125439875

IUPACN-[(1R)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]-2-pyrimidin-2-ylsulfanylacetamide
SMILESCCCn1ncnc1[C@@H](C)NC(=O)CSc1ncccn1
InChIInChI=1S/C13H18N6OS/c1-3-7-19-12(16-9-17-19)10(2)18-11(20)8-21-13-14-5-4-6-15-13/h4-6,9-10H,3,7-8H2,1-2H3,(H,18,20)/t10-/m1/s1
InChIKeyPSCKDVHXQIUXBQ-SNVBAGLBSA-N
MW306.39 g/mol
LogP1.45
Rot. Bonds7

About N-[(1R)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]-2-pyrimidin-2-ylsulfanylacetamide

N-[(1R)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]-2-pyrimidin-2-ylsulfanylacetamide (PubChem CID 125439875) has the molecular formula C13H18N6OS and a molecular weight of 306.39 g/mol. Its IUPAC name is N-[(1R)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]-2-pyrimidin-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-[(1R)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]-2-pyrimidin-2-ylsulfanylacetamide
PubChem CID125439875
Molecular FormulaC13H18N6OS
Molecular Weight306.39 g/mol
Exact Mass306.13
IUPAC NameN-[(1R)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]-2-pyrimidin-2-ylsulfanylacetamide
SMILESCCCn1ncnc1[C@@H](C)NC(=O)CSc1ncccn1
InChIInChI=1S/C13H18N6OS/c1-3-7-19-12(16-9-17-19)10(2)18-11(20)8-21-13-14-5-4-6-15-13/h4-6,9-10H,3,7-8H2,1-2H3,(H,18,20)/t10-/m1/s1
InChIKeyPSCKDVHXQIUXBQ-SNVBAGLBSA-N
XLogP1.45
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(1S)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]-2-pyrimidin-2-ylsulfanylacetamide
CID 125439874
2-methylsulfonyl-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]acetamide
CID 122570467
N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]-3-pyridin-3-ylpropanamide
CID 118784796
2-(4-methylpyrazol-1-yl)-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]acetamide
CID 122567315
N-[(1S)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 125446457
3-(4-methyl-1,2,4-triazol-3-yl)-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]propanamide
CID 118793035
3-(2-oxopyrrolidin-1-yl)-N-[(1R)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]propanamide
CID 125444216
formic acid;3-imidazol-1-yl-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]propanamide
CID 154907579
2-(2-methylbenzimidazol-1-yl)-N-[(1S)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]acetamide
CID 125161067
2-(2-oxo-1,3-oxazolidin-3-yl)-N-[(1R)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]acetamide
CID 125440955
4-chloro-1-methyl-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]pyrazole-5-carboxamide
CID 122563851
6-oxo-N-[(1R)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]-1H-pyridine-2-carboxamide
CID 124907211

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]-2-pyrimidin-2-ylsulfanylacetamide?
The IUPAC name of N-[(1R)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]-2-pyrimidin-2-ylsulfanylacetamide (CID 125439875) is N-[(1R)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]-2-pyrimidin-2-ylsulfanylacetamide.
What is the SMILES notation for N-[(1R)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]-2-pyrimidin-2-ylsulfanylacetamide?
The canonical SMILES for N-[(1R)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]-2-pyrimidin-2-ylsulfanylacetamide is CCCn1ncnc1[C@@H](C)NC(=O)CSc1ncccn1.
What is the InChIKey of N-[(1R)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]-2-pyrimidin-2-ylsulfanylacetamide?
The InChIKey is PSCKDVHXQIUXBQ-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H18N6OS/c1-3-7-19-12(16-9-17-19)10(2)18-11(20)8-21-13-14-5-4-6-15-13/h4-6,9-10H,3,7-8H2,1-2H3,(H,18,20)/t10-/m1/s1.
What are the key properties of N-[(1R)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]-2-pyrimidin-2-ylsulfanylacetamide?
N-[(1R)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]-2-pyrimidin-2-ylsulfanylacetamide has a molecular weight of 306.39 g/mol, XLogP of 1.45, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]-2-pyrimidin-2-ylsulfanylacetamide is sourced from PubChem (CID 125439875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).