2-(2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-5-(piperidin-1-ylmethyl)-1,3,4-oxadiazole

C19H19N5OS3 — CID 2535918

IUPAC2-(2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-5-(piperidin-1-ylmethyl)-1,3,4-oxadiazole
SMILESCc1nc(Sc2nnc(CN3CCCCC3)o2)c2c(-c3cccs3)csc2n1
InChIInChI=1S/C19H19N5OS3/c1-12-20-17-16(13(11-27-17)14-6-5-9-26-14)18(21-12)28-19-23-22-15(25-19)10-24-7-3-2-4-8-24/h5-6,9,11H,2-4,7-8,10H2,1H3
InChIKeyYKBXNMFVJKTGML-UHFFFAOYSA-N
MW429.60 g/mol
LogP5.25
Rot. Bonds5

About 2-(2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-5-(piperidin-1-ylmethyl)-1,3,4-oxadiazole

2-(2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-5-(piperidin-1-ylmethyl)-1,3,4-oxadiazole (PubChem CID 2535918) has the molecular formula C19H19N5OS3 and a molecular weight of 429.60 g/mol. Its IUPAC name is 2-(2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-5-(piperidin-1-ylmethyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-5-(piperidin-1-ylmethyl)-1,3,4-oxadiazole
PubChem CID2535918
Molecular FormulaC19H19N5OS3
Molecular Weight429.60 g/mol
Exact Mass429.08
IUPAC Name2-(2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-5-(piperidin-1-ylmethyl)-1,3,4-oxadiazole
SMILESCc1nc(Sc2nnc(CN3CCCCC3)o2)c2c(-c3cccs3)csc2n1
InChIInChI=1S/C19H19N5OS3/c1-12-20-17-16(13(11-27-17)14-6-5-9-26-14)18(21-12)28-19-23-22-15(25-19)10-24-7-3-2-4-8-24/h5-6,9,11H,2-4,7-8,10H2,1H3
InChIKeyYKBXNMFVJKTGML-UHFFFAOYSA-N
XLogP5.25
TPSA67.94 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.60
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

2-methyl-4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylsulfanyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidine
CID 4780946
2-(piperidin-1-ylmethyl)-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one
CID 2097897
N,2-dimethyl-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine
CID 47034322
4-[[4-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-5-thiophen-2-ylthieno[2,3-d]pyrimidin-2-yl]methyl]morpholine
CID 43036364
4-[[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-2-(piperidin-1-ylmethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidine
CID 166353600
2-methyl-4-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]-5-thiophen-2-ylthieno[2,3-d]pyrimidine
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2-(azocan-1-ylmethyl)-5-(5-methylthiophen-2-yl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 8784587
N-(2-cyanoethyl)-N-methyl-2-(2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
CID 2509399
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2-ethyl-5-thiophen-2-ylthieno[2,3-d][1,3]oxazin-4-one
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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-5-(piperidin-1-ylmethyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-5-(piperidin-1-ylmethyl)-1,3,4-oxadiazole (CID 2535918) is 2-(2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-5-(piperidin-1-ylmethyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-5-(piperidin-1-ylmethyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-5-(piperidin-1-ylmethyl)-1,3,4-oxadiazole is Cc1nc(Sc2nnc(CN3CCCCC3)o2)c2c(-c3cccs3)csc2n1.
What is the InChIKey of 2-(2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-5-(piperidin-1-ylmethyl)-1,3,4-oxadiazole?
The InChIKey is YKBXNMFVJKTGML-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5OS3/c1-12-20-17-16(13(11-27-17)14-6-5-9-26-14)18(21-12)28-19-23-22-15(25-19)10-24-7-3-2-4-8-24/h5-6,9,11H,2-4,7-8,10H2,1H3.
What are the key properties of 2-(2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-5-(piperidin-1-ylmethyl)-1,3,4-oxadiazole?
2-(2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-5-(piperidin-1-ylmethyl)-1,3,4-oxadiazole has a molecular weight of 429.60 g/mol, XLogP of 5.25, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-5-(piperidin-1-ylmethyl)-1,3,4-oxadiazole is sourced from PubChem (CID 2535918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).