4-[(2,6-dimethylpyrimidin-4-yl)sulfanylmethyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole

C15H15N3OS2 — CID 31903440

IUPAC4-[(2,6-dimethylpyrimidin-4-yl)sulfanylmethyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole
SMILESCc1cc(SCc2nc(-c3cccs3)oc2C)nc(C)n1
InChIInChI=1S/C15H15N3OS2/c1-9-7-14(17-11(3)16-9)21-8-12-10(2)19-15(18-12)13-5-4-6-20-13/h4-7H,8H2,1-3H3
InChIKeyHMKWBVSCWPWSLP-UHFFFAOYSA-N
MW317.44 g/mol
LogP4.41
Rot. Bonds4

About 4-[(2,6-dimethylpyrimidin-4-yl)sulfanylmethyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole

4-[(2,6-dimethylpyrimidin-4-yl)sulfanylmethyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole (PubChem CID 31903440) has the molecular formula C15H15N3OS2 and a molecular weight of 317.44 g/mol. Its IUPAC name is 4-[(2,6-dimethylpyrimidin-4-yl)sulfanylmethyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole.

Molecular Properties

Compound Name4-[(2,6-dimethylpyrimidin-4-yl)sulfanylmethyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole
PubChem CID31903440
Molecular FormulaC15H15N3OS2
Molecular Weight317.44 g/mol
Exact Mass317.07
IUPAC Name4-[(2,6-dimethylpyrimidin-4-yl)sulfanylmethyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole
SMILESCc1cc(SCc2nc(-c3cccs3)oc2C)nc(C)n1
InChIInChI=1S/C15H15N3OS2/c1-9-7-14(17-11(3)16-9)21-8-12-10(2)19-15(18-12)13-5-4-6-20-13/h4-7H,8H2,1-3H3
InChIKeyHMKWBVSCWPWSLP-UHFFFAOYSA-N
XLogP4.41
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,6-dimethylpyrimidin-4-yl)sulfanylmethyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole?
The IUPAC name of 4-[(2,6-dimethylpyrimidin-4-yl)sulfanylmethyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole (CID 31903440) is 4-[(2,6-dimethylpyrimidin-4-yl)sulfanylmethyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole.
What is the SMILES notation for 4-[(2,6-dimethylpyrimidin-4-yl)sulfanylmethyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole?
The canonical SMILES for 4-[(2,6-dimethylpyrimidin-4-yl)sulfanylmethyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole is Cc1cc(SCc2nc(-c3cccs3)oc2C)nc(C)n1.
What is the InChIKey of 4-[(2,6-dimethylpyrimidin-4-yl)sulfanylmethyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole?
The InChIKey is HMKWBVSCWPWSLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS2/c1-9-7-14(17-11(3)16-9)21-8-12-10(2)19-15(18-12)13-5-4-6-20-13/h4-7H,8H2,1-3H3.
What are the key properties of 4-[(2,6-dimethylpyrimidin-4-yl)sulfanylmethyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole?
4-[(2,6-dimethylpyrimidin-4-yl)sulfanylmethyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole has a molecular weight of 317.44 g/mol, XLogP of 4.41, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,6-dimethylpyrimidin-4-yl)sulfanylmethyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole is sourced from PubChem (CID 31903440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).