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

C17H14N4OS2 — CID 7888309

IUPAC2-methyl-5-[(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-1,3,4-oxadiazole
SMILESCc1nc(SCc2nnc(C)o2)c2cc(-c3ccccc3)sc2n1
InChIInChI=1S/C17H14N4OS2/c1-10-18-16(23-9-15-21-20-11(2)22-15)13-8-14(24-17(13)19-10)12-6-4-3-5-7-12/h3-8H,9H2,1-2H3
InChIKeyYASBIKVBFVRRKD-UHFFFAOYSA-N
MW354.46 g/mol
LogP4.65
Rot. Bonds4

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

2-methyl-5-[(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-1,3,4-oxadiazole (PubChem CID 7888309) has the molecular formula C17H14N4OS2 and a molecular weight of 354.46 g/mol. Its IUPAC name is 2-methyl-5-[(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-methyl-5-[(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-1,3,4-oxadiazole
PubChem CID7888309
Molecular FormulaC17H14N4OS2
Molecular Weight354.46 g/mol
Exact Mass354.06
IUPAC Name2-methyl-5-[(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-1,3,4-oxadiazole
SMILESCc1nc(SCc2nnc(C)o2)c2cc(-c3ccccc3)sc2n1
InChIInChI=1S/C17H14N4OS2/c1-10-18-16(23-9-15-21-20-11(2)22-15)13-8-14(24-17(13)19-10)12-6-4-3-5-7-12/h3-8H,9H2,1-2H3
InChIKeyYASBIKVBFVRRKD-UHFFFAOYSA-N
XLogP4.65
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.46
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-methyl-5-[(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-1,3,4-oxadiazole with MolForge

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Related Compounds

4-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-2-methyl-6-phenylthieno[2,3-d]pyrimidine
CID 24562093
2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-3-(2-methylphenyl)-6-phenylthieno[2,3-d]pyrimidin-4-one
CID 24576324
N-(methylcarbamoyl)-2-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
CID 7888342
[5-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-4-propyl-1,2,4-triazol-3-yl]methanol
CID 133384706
3,6-diphenyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-one
CID 46791908
N-[(4-methoxyphenyl)methyl]-2-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
CID 16541500
1-(2,5-dimethoxyphenyl)-2-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanone
CID 18207893
2-(furan-2-yl)-5-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-1,3,4-oxadiazole
CID 7888433
1-[2-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]pyrrolidin-2-one
CID 7888344
(2S)-2-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylcyclopentan-1-one
CID 7888427
5-phenyl-2-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-1,3-oxazole
CID 2563242
(2S)-2-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-pyrrolidin-1-ylpropan-1-one
CID 7888355

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-1,3,4-oxadiazole?
The IUPAC name of 2-methyl-5-[(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-1,3,4-oxadiazole (CID 7888309) is 2-methyl-5-[(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-methyl-5-[(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-methyl-5-[(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-1,3,4-oxadiazole is Cc1nc(SCc2nnc(C)o2)c2cc(-c3ccccc3)sc2n1.
What is the InChIKey of 2-methyl-5-[(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-1,3,4-oxadiazole?
The InChIKey is YASBIKVBFVRRKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4OS2/c1-10-18-16(23-9-15-21-20-11(2)22-15)13-8-14(24-17(13)19-10)12-6-4-3-5-7-12/h3-8H,9H2,1-2H3.
What are the key properties of 2-methyl-5-[(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-1,3,4-oxadiazole?
2-methyl-5-[(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-1,3,4-oxadiazole has a molecular weight of 354.46 g/mol, XLogP of 4.65, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-1,3,4-oxadiazole is sourced from PubChem (CID 7888309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).