N-(2-methyl-1-thiophen-2-ylpropyl)-2-pyrimidin-2-ylsulfanylacetamide

C14H17N3OS2 — CID 24569521

IUPACN-(2-methyl-1-thiophen-2-ylpropyl)-2-pyrimidin-2-ylsulfanylacetamide
SMILESCC(C)C(NC(=O)CSc1ncccn1)c1cccs1
InChIInChI=1S/C14H17N3OS2/c1-10(2)13(11-5-3-8-19-11)17-12(18)9-20-14-15-6-4-7-16-14/h3-8,10,13H,9H2,1-2H3,(H,17,18)
InChIKeyQTKCGYVQRPZNTO-UHFFFAOYSA-N
MW307.44 g/mol
LogP3.14
Rot. Bonds6

About N-(2-methyl-1-thiophen-2-ylpropyl)-2-pyrimidin-2-ylsulfanylacetamide

N-(2-methyl-1-thiophen-2-ylpropyl)-2-pyrimidin-2-ylsulfanylacetamide (PubChem CID 24569521) has the molecular formula C14H17N3OS2 and a molecular weight of 307.44 g/mol. Its IUPAC name is N-(2-methyl-1-thiophen-2-ylpropyl)-2-pyrimidin-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(2-methyl-1-thiophen-2-ylpropyl)-2-pyrimidin-2-ylsulfanylacetamide
PubChem CID24569521
Molecular FormulaC14H17N3OS2
Molecular Weight307.44 g/mol
Exact Mass307.08
IUPAC NameN-(2-methyl-1-thiophen-2-ylpropyl)-2-pyrimidin-2-ylsulfanylacetamide
SMILESCC(C)C(NC(=O)CSc1ncccn1)c1cccs1
InChIInChI=1S/C14H17N3OS2/c1-10(2)13(11-5-3-8-19-11)17-12(18)9-20-14-15-6-4-7-16-14/h3-8,10,13H,9H2,1-2H3,(H,17,18)
InChIKeyQTKCGYVQRPZNTO-UHFFFAOYSA-N
XLogP3.14
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide
CID 46667554
2-(4-aminophenyl)sulfanyl-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide
CID 43298965
2-bromo-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide
CID 63681207
N-[(1R)-1-thiophen-2-ylethyl]-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide
CID 40682887
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(1-thiophen-2-ylethyl)acetamide
CID 42990207
2-[(5-amino-4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]acetamide
CID 52505836
1,3-bis(2-methyl-1-thiophen-2-ylpropyl)urea
CID 47023834
2-[(2-methylpropan-2-yl)oxy]-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide
CID 112604514
2-(1,3-dioxoisoindol-2-yl)-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]acetamide
CID 9051678
2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide
CID 43036478
2-(3,4-dihydroxypyrrolidin-1-yl)-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide
CID 106672150
1,1-diethyl-3-(2-methyl-1-thiophen-2-ylpropyl)urea
CID 115575874

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1-thiophen-2-ylpropyl)-2-pyrimidin-2-ylsulfanylacetamide?
The IUPAC name of N-(2-methyl-1-thiophen-2-ylpropyl)-2-pyrimidin-2-ylsulfanylacetamide (CID 24569521) is N-(2-methyl-1-thiophen-2-ylpropyl)-2-pyrimidin-2-ylsulfanylacetamide.
What is the SMILES notation for N-(2-methyl-1-thiophen-2-ylpropyl)-2-pyrimidin-2-ylsulfanylacetamide?
The canonical SMILES for N-(2-methyl-1-thiophen-2-ylpropyl)-2-pyrimidin-2-ylsulfanylacetamide is CC(C)C(NC(=O)CSc1ncccn1)c1cccs1.
What is the InChIKey of N-(2-methyl-1-thiophen-2-ylpropyl)-2-pyrimidin-2-ylsulfanylacetamide?
The InChIKey is QTKCGYVQRPZNTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS2/c1-10(2)13(11-5-3-8-19-11)17-12(18)9-20-14-15-6-4-7-16-14/h3-8,10,13H,9H2,1-2H3,(H,17,18).
What are the key properties of N-(2-methyl-1-thiophen-2-ylpropyl)-2-pyrimidin-2-ylsulfanylacetamide?
N-(2-methyl-1-thiophen-2-ylpropyl)-2-pyrimidin-2-ylsulfanylacetamide has a molecular weight of 307.44 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1-thiophen-2-ylpropyl)-2-pyrimidin-2-ylsulfanylacetamide is sourced from PubChem (CID 24569521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).