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

C19H17N3OS2 — CID 2563242

IUPAC5-phenyl-2-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-1,3-oxazole
SMILESCc1nc(SCc2ncc(-c3ccccc3)o2)c2c(C)c(C)sc2n1
InChIInChI=1S/C19H17N3OS2/c1-11-12(2)25-19-17(11)18(21-13(3)22-19)24-10-16-20-9-15(23-16)14-7-5-4-6-8-14/h4-9H,10H2,1-3H3
InChIKeyBKEKIXMQBHIPEP-UHFFFAOYSA-N
MW367.50 g/mol
LogP5.56
Rot. Bonds4

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

5-phenyl-2-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-1,3-oxazole (PubChem CID 2563242) has the molecular formula C19H17N3OS2 and a molecular weight of 367.50 g/mol. Its IUPAC name is 5-phenyl-2-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-1,3-oxazole.

Molecular Properties

Compound Name5-phenyl-2-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-1,3-oxazole
PubChem CID2563242
Molecular FormulaC19H17N3OS2
Molecular Weight367.50 g/mol
Exact Mass367.08
IUPAC Name5-phenyl-2-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-1,3-oxazole
SMILESCc1nc(SCc2ncc(-c3ccccc3)o2)c2c(C)c(C)sc2n1
InChIInChI=1S/C19H17N3OS2/c1-11-12(2)25-19-17(11)18(21-13(3)22-19)24-10-16-20-9-15(23-16)14-7-5-4-6-8-14/h4-9H,10H2,1-3H3
InChIKeyBKEKIXMQBHIPEP-UHFFFAOYSA-N
XLogP5.56
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.50
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-phenyl-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanol
CID 42887380
3-thiophen-3-yl-5-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-1,2,4-oxadiazole
CID 8952313
2,5,6-trimethyl-4-(quinolin-8-ylmethylsulfanyl)thieno[2,3-d]pyrimidine
CID 24577230
4-[(3-bromophenyl)methylsulfanyl]-2,5,6-trimethylthieno[2,3-d]pyrimidine
CID 7362769
3-(4-nitrophenyl)-5-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-1,2,4-oxadiazole
CID 55772013
2-phenyl-5-[(1R)-1-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethyl]-1,3,4-oxadiazole
CID 8954336
5-[(5-phenyl-1,3-oxazol-2-yl)methylsulfanyl]-N-propan-2-yl-1,3,4-thiadiazol-2-amine
CID 9442192
4-(3-bromopropylsulfanyl)-2,5,6-trimethylthieno[2,3-d]pyrimidine
CID 82027844
2-phenyl-N-[2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]acetamide
CID 16567188
4-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]benzamide
CID 17467447
N-(3-methylphenyl)-5-[(5-phenyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 9118504
2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanylmethyl]-5-phenyl-1,3-oxazole
CID 55482715

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-2-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-1,3-oxazole?
The IUPAC name of 5-phenyl-2-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-1,3-oxazole (CID 2563242) is 5-phenyl-2-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-1,3-oxazole.
What is the SMILES notation for 5-phenyl-2-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-1,3-oxazole?
The canonical SMILES for 5-phenyl-2-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-1,3-oxazole is Cc1nc(SCc2ncc(-c3ccccc3)o2)c2c(C)c(C)sc2n1.
What is the InChIKey of 5-phenyl-2-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-1,3-oxazole?
The InChIKey is BKEKIXMQBHIPEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3OS2/c1-11-12(2)25-19-17(11)18(21-13(3)22-19)24-10-16-20-9-15(23-16)14-7-5-4-6-8-14/h4-9H,10H2,1-3H3.
What are the key properties of 5-phenyl-2-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-1,3-oxazole?
5-phenyl-2-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-1,3-oxazole has a molecular weight of 367.50 g/mol, XLogP of 5.56, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-2-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-1,3-oxazole is sourced from PubChem (CID 2563242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).