2-(4-methylphenyl)-5-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-1,3,4-oxadiazole

C19H18N4OS2 — CID 653425

IUPAC2-(4-methylphenyl)-5-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-1,3,4-oxadiazole
SMILESCc1ccc(-c2nnc(CSc3nc(C)nc4sc(C)c(C)c34)o2)cc1
InChIInChI=1S/C19H18N4OS2/c1-10-5-7-14(8-6-10)17-23-22-15(24-17)9-25-18-16-11(2)12(3)26-19(16)21-13(4)20-18/h5-8H,9H2,1-4H3
InChIKeyZWTCUFSQZCBBSP-UHFFFAOYSA-N
MW382.51 g/mol
LogP5.27
Rot. Bonds4

About 2-(4-methylphenyl)-5-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-1,3,4-oxadiazole

2-(4-methylphenyl)-5-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-1,3,4-oxadiazole (PubChem CID 653425) has the molecular formula C19H18N4OS2 and a molecular weight of 382.51 g/mol. Its IUPAC name is 2-(4-methylphenyl)-5-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-methylphenyl)-5-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-1,3,4-oxadiazole
PubChem CID653425
Molecular FormulaC19H18N4OS2
Molecular Weight382.51 g/mol
Exact Mass382.09
IUPAC Name2-(4-methylphenyl)-5-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-1,3,4-oxadiazole
SMILESCc1ccc(-c2nnc(CSc3nc(C)nc4sc(C)c(C)c34)o2)cc1
InChIInChI=1S/C19H18N4OS2/c1-10-5-7-14(8-6-10)17-23-22-15(24-17)9-25-18-16-11(2)12(3)26-19(16)21-13(4)20-18/h5-8H,9H2,1-4H3
InChIKeyZWTCUFSQZCBBSP-UHFFFAOYSA-N
XLogP5.27
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.51
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

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CID 649444
CID 649444
CID 3192281
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CID 137633033
CID 137633033
CID 137655279
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CID 137656671
CID 137656671
CID 145969540
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CID 145970001
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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-5-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(4-methylphenyl)-5-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-1,3,4-oxadiazole (CID 653425) is 2-(4-methylphenyl)-5-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-methylphenyl)-5-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-methylphenyl)-5-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-1,3,4-oxadiazole is Cc1ccc(-c2nnc(CSc3nc(C)nc4sc(C)c(C)c34)o2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-5-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-1,3,4-oxadiazole?
The InChIKey is ZWTCUFSQZCBBSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4OS2/c1-10-5-7-14(8-6-10)17-23-22-15(24-17)9-25-18-16-11(2)12(3)26-19(16)21-13(4)20-18/h5-8H,9H2,1-4H3.
What are the key properties of 2-(4-methylphenyl)-5-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-1,3,4-oxadiazole?
2-(4-methylphenyl)-5-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-1,3,4-oxadiazole has a molecular weight of 382.51 g/mol, XLogP of 5.27, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-5-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-1,3,4-oxadiazole is sourced from PubChem (CID 653425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).