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

C15H16N4O2S2 — CID 653561

IUPACN-(5-methyl-1,2-oxazol-3-yl)-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
SMILESCc1nc(SCC(=O)Nc2cc(C)on2)c2c(C)c(C)sc2n1
InChIInChI=1S/C15H16N4O2S2/c1-7-5-11(19-21-7)18-12(20)6-22-14-13-8(2)9(3)23-15(13)17-10(4)16-14/h5H,6H2,1-4H3,(H,18,19,20)
InChIKeyZDAQXUWIFPSGHD-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.64
Rot. Bonds4

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

N-(5-methyl-1,2-oxazol-3-yl)-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide (PubChem CID 653561) has the molecular formula C15H16N4O2S2 and a molecular weight of 348.45 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
PubChem CID653561
Molecular FormulaC15H16N4O2S2
Molecular Weight348.45 g/mol
Exact Mass348.07
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
SMILESCc1nc(SCC(=O)Nc2cc(C)on2)c2c(C)c(C)sc2n1
InChIInChI=1S/C15H16N4O2S2/c1-7-5-11(19-21-7)18-12(20)6-22-14-13-8(2)9(3)23-15(13)17-10(4)16-14/h5H,6H2,1-4H3,(H,18,19,20)
InChIKeyZDAQXUWIFPSGHD-UHFFFAOYSA-N
XLogP3.64
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(5-methyl-1,2-oxazol-3-yl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide
CID 2406271
Notum pectinacetylesterase-1
CID 859554
2-(8,9-Dimethyl-thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-ylsulfanyl)-N-(5-methyl-isoxazol-3-yl)-acetamide
CID 653615
2-(2-Cyclopropyl-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-ylsulfanyl)-N-(5-methyl-isoxazol-3-yl)-acetamide
CID 1466867
N-(5-methyl-1,2-oxazol-3-yl)-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylacetamide
CID 2567379
N-(5-methyl-1,2-oxazol-3-yl)-2-[(2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)sulfanyl]acetamide
CID 2612492
2-(2-Isopropyl-7-methyl-5,6,7,8-tetrahydro-benzo[4,5]thieno[2,3-d]pyrimidin-4-ylsulfanyl)-N-(5-methyl-isoxazol-3-yl)-acetamide
CID 3200141
2,5-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-4-(N-methyl-4-propan-2-ylanilino)thieno[2,3-d]pyrimidine-6-carboxamide
CID 23734246
2-(2-Ethyl-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-ylsulfanyl)-N-(5-methyl-isoxazol-3-yl)-acetamide
CID 645193
2-[(2-cyclopropyl-7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 650327
2-(2-Isopropyl-5,6,7,8-tetrahydro-benzo[4,5]thieno[2,3-d]pyrimidin-4-ylsulfanyl)-N-(5-methyl-isoxazol-3-yl)-acetamide
CID 655499
2-(2-Isopropyl-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-ylsulfanyl)-N-(5-methyl-isoxazol-3-yl)-acetamide
CID 655538

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide (CID 653561) is N-(5-methyl-1,2-oxazol-3-yl)-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide is Cc1nc(SCC(=O)Nc2cc(C)on2)c2c(C)c(C)sc2n1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide?
The InChIKey is ZDAQXUWIFPSGHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2S2/c1-7-5-11(19-21-7)18-12(20)6-22-14-13-8(2)9(3)23-15(13)17-10(4)16-14/h5H,6H2,1-4H3,(H,18,19,20).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide?
N-(5-methyl-1,2-oxazol-3-yl)-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide has a molecular weight of 348.45 g/mol, XLogP of 3.64, 4 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-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide is sourced from PubChem (CID 653561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).