N-(5-methyl-1,2-oxazol-3-yl)-2-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]sulfanylacetamide

C16H21N5O2S — CID 95918622

IUPACN-(5-methyl-1,2-oxazol-3-yl)-2-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]sulfanylacetamide
SMILESCc1cc(NC(=O)CSc2cc(N3CCC(C)CC3)ncn2)no1
InChIInChI=1S/C16H21N5O2S/c1-11-3-5-21(6-4-11)14-8-16(18-10-17-14)24-9-15(22)19-13-7-12(2)23-20-13/h7-8,10-11H,3-6,9H2,1-2H3,(H,19,20,22)
InChIKeyNPYRYBQYXPGVJU-UHFFFAOYSA-N
MW347.44 g/mol
LogP2.74
Rot. Bonds5

About N-(5-methyl-1,2-oxazol-3-yl)-2-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]sulfanylacetamide

N-(5-methyl-1,2-oxazol-3-yl)-2-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]sulfanylacetamide (PubChem CID 95918622) has the molecular formula C16H21N5O2S and a molecular weight of 347.44 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-2-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-2-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]sulfanylacetamide
PubChem CID95918622
Molecular FormulaC16H21N5O2S
Molecular Weight347.44 g/mol
Exact Mass347.14
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-2-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]sulfanylacetamide
SMILESCc1cc(NC(=O)CSc2cc(N3CCC(C)CC3)ncn2)no1
InChIInChI=1S/C16H21N5O2S/c1-11-3-5-21(6-4-11)14-8-16(18-10-17-14)24-9-15(22)19-13-7-12(2)23-20-13/h7-8,10-11H,3-6,9H2,1-2H3,(H,19,20,22)
InChIKeyNPYRYBQYXPGVJU-UHFFFAOYSA-N
XLogP2.74
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-methylphenyl)-2-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]sulfanylacetamide
CID 53012098
N-(4-methylphenyl)-2-[6-[(3R)-3-methylpiperidin-1-yl]pyrimidin-4-yl]sulfanylacetamide
CID 92899128
1-[6-(cyclopropylamino)pyrimidin-4-yl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
CID 136547756
3-[[4-cyclopropyl-5-(4-methylpiperidin-1-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 51319356
2-(4-methylphenyl)-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]acetamide
CID 90546048
2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]acetamide
CID 90546186
1-[6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
CID 133305541
2-[6-(3,5-dimethylpiperidin-1-yl)pyrimidin-4-yl]sulfanylacetohydrazide
CID 110277663
N-(5-methyl-1,2-oxazol-3-yl)-2-[[2-(4-methylpiperidin-1-yl)-7-oxo-6-propyl-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl]acetamide
CID 53206550
N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-2-pyrazol-1-ylacetamide
CID 90546153
N-(2-chloro-4-methylphenyl)-2-[6-[(3R)-3-methylpiperidin-1-yl]pyrimidin-4-yl]sulfanylacetamide
CID 92899153
N-(3-chloro-2-methylphenyl)-2-[6-(3-methylpiperidin-1-yl)pyrimidin-4-yl]sulfanylacetamide
CID 50841202

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]sulfanylacetamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]sulfanylacetamide (CID 95918622) is N-(5-methyl-1,2-oxazol-3-yl)-2-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]sulfanylacetamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-2-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]sulfanylacetamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-2-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]sulfanylacetamide is Cc1cc(NC(=O)CSc2cc(N3CCC(C)CC3)ncn2)no1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-2-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]sulfanylacetamide?
The InChIKey is NPYRYBQYXPGVJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2S/c1-11-3-5-21(6-4-11)14-8-16(18-10-17-14)24-9-15(22)19-13-7-12(2)23-20-13/h7-8,10-11H,3-6,9H2,1-2H3,(H,19,20,22).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-2-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]sulfanylacetamide?
N-(5-methyl-1,2-oxazol-3-yl)-2-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]sulfanylacetamide has a molecular weight of 347.44 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-2-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]sulfanylacetamide is sourced from PubChem (CID 95918622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).