3,5-dimethyl-1,2-oxazole;2,5-dimethylpyrazine;4,6-dimethylpyrimidine;2,5-dimethyl-1,3,4-thiadiazole;2,3,4,5,6-pentamethylpyridine;2,4,5-trimethyl-1,3-thiazole

C37H53N9OS2 — CID 157099500

IUPAC3,5-dimethyl-1,2-oxazole;2,5-dimethylpyrazine;4,6-dimethylpyrimidine;2,5-dimethyl-1,3,4-thiadiazole;2,3,4,5,6-pentamethylpyridine;2,4,5-trimethyl-1,3-thiazole
SMILESCc1cc(C)ncn1.Cc1cc(C)on1.Cc1cnc(C)cn1.Cc1nc(C)c(C)c(C)c1C.Cc1nc(C)c(C)s1.Cc1nnc(C)s1
InChIInChI=1S/C10H15N.2C6H8N2.C6H9NS.C5H7NO.C4H6N2S/c1-6-7(2)9(4)11-10(5)8(6)3;1-5-3-8-6(2)4-7-5;1-5-3-6(2)8-4-7-5;1-4-5(2)8-6(3)7-4;1-4-3-5(2)7-6-4;1-3-5-6-4(2)7-3/h1-5H3;2*3-4H,1-2H3;1-3H3;3H,1-2H3;1-2H3
InChIKeyAFPGRFPSNAWNAP-UHFFFAOYSA-N
MW704.03 g/mol
LogP9.33
Rot. Bonds

About 3,5-dimethyl-1,2-oxazole;2,5-dimethylpyrazine;4,6-dimethylpyrimidine;2,5-dimethyl-1,3,4-thiadiazole;2,3,4,5,6-pentamethylpyridine;2,4,5-trimethyl-1,3-thiazole

3,5-dimethyl-1,2-oxazole;2,5-dimethylpyrazine;4,6-dimethylpyrimidine;2,5-dimethyl-1,3,4-thiadiazole;2,3,4,5,6-pentamethylpyridine;2,4,5-trimethyl-1,3-thiazole (PubChem CID 157099500) has the molecular formula C37H53N9OS2 and a molecular weight of 704.03 g/mol. Its IUPAC name is 3,5-dimethyl-1,2-oxazole;2,5-dimethylpyrazine;4,6-dimethylpyrimidine;2,5-dimethyl-1,3,4-thiadiazole;2,3,4,5,6-pentamethylpyridine;2,4,5-trimethyl-1,3-thiazole.

Molecular Properties

Compound Name3,5-dimethyl-1,2-oxazole;2,5-dimethylpyrazine;4,6-dimethylpyrimidine;2,5-dimethyl-1,3,4-thiadiazole;2,3,4,5,6-pentamethylpyridine;2,4,5-trimethyl-1,3-thiazole
PubChem CID157099500
Molecular FormulaC37H53N9OS2
Molecular Weight704.03 g/mol
Exact Mass703.38
IUPAC Name3,5-dimethyl-1,2-oxazole;2,5-dimethylpyrazine;4,6-dimethylpyrimidine;2,5-dimethyl-1,3,4-thiadiazole;2,3,4,5,6-pentamethylpyridine;2,4,5-trimethyl-1,3-thiazole
SMILESCc1cc(C)ncn1.Cc1cc(C)on1.Cc1cnc(C)cn1.Cc1nc(C)c(C)c(C)c1C.Cc1nc(C)c(C)s1.Cc1nnc(C)s1
InChIInChI=1S/C10H15N.2C6H8N2.C6H9NS.C5H7NO.C4H6N2S/c1-6-7(2)9(4)11-10(5)8(6)3;1-5-3-8-6(2)4-7-5;1-5-3-6(2)8-4-7-5;1-4-5(2)8-6(3)7-4;1-4-3-5(2)7-6-4;1-3-5-6-4(2)7-3/h1-5H3;2*3-4H,1-2H3;1-3H3;3H,1-2H3;1-2H3
InChIKeyAFPGRFPSNAWNAP-UHFFFAOYSA-N
XLogP9.33
TPSA129.15 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds
Heavy Atoms49
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500704.03
LogP ≤ 59.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 3,5-dimethyl-1,2-oxazole;2,5-dimethylpyrazine;4,6-dimethylpyrimidine;2,5-dimethyl-1,3,4-thiadiazole;2,3,4,5,6-pentamethylpyridine;2,4,5-trimethyl-1,3-thiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1,2-oxazole;2,5-dimethylpyrazine;4,6-dimethylpyrimidine;2,5-dimethyl-1,3,4-thiadiazole;2,3,4,5,6-pentamethylpyridine;2,4,5-trimethyl-1,3-thiazole?
The IUPAC name of 3,5-dimethyl-1,2-oxazole;2,5-dimethylpyrazine;4,6-dimethylpyrimidine;2,5-dimethyl-1,3,4-thiadiazole;2,3,4,5,6-pentamethylpyridine;2,4,5-trimethyl-1,3-thiazole (CID 157099500) is 3,5-dimethyl-1,2-oxazole;2,5-dimethylpyrazine;4,6-dimethylpyrimidine;2,5-dimethyl-1,3,4-thiadiazole;2,3,4,5,6-pentamethylpyridine;2,4,5-trimethyl-1,3-thiazole.
What is the SMILES notation for 3,5-dimethyl-1,2-oxazole;2,5-dimethylpyrazine;4,6-dimethylpyrimidine;2,5-dimethyl-1,3,4-thiadiazole;2,3,4,5,6-pentamethylpyridine;2,4,5-trimethyl-1,3-thiazole?
The canonical SMILES for 3,5-dimethyl-1,2-oxazole;2,5-dimethylpyrazine;4,6-dimethylpyrimidine;2,5-dimethyl-1,3,4-thiadiazole;2,3,4,5,6-pentamethylpyridine;2,4,5-trimethyl-1,3-thiazole is Cc1cc(C)ncn1.Cc1cc(C)on1.Cc1cnc(C)cn1.Cc1nc(C)c(C)c(C)c1C.Cc1nc(C)c(C)s1.Cc1nnc(C)s1.
What is the InChIKey of 3,5-dimethyl-1,2-oxazole;2,5-dimethylpyrazine;4,6-dimethylpyrimidine;2,5-dimethyl-1,3,4-thiadiazole;2,3,4,5,6-pentamethylpyridine;2,4,5-trimethyl-1,3-thiazole?
The InChIKey is AFPGRFPSNAWNAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N.2C6H8N2.C6H9NS.C5H7NO.C4H6N2S/c1-6-7(2)9(4)11-10(5)8(6)3;1-5-3-8-6(2)4-7-5;1-5-3-6(2)8-4-7-5;1-4-5(2)8-6(3)7-4;1-4-3-5(2)7-6-4;1-3-5-6-4(2)7-3/h1-5H3;2*3-4H,1-2H3;1-3H3;3H,1-2H3;1-2H3.
What are the key properties of 3,5-dimethyl-1,2-oxazole;2,5-dimethylpyrazine;4,6-dimethylpyrimidine;2,5-dimethyl-1,3,4-thiadiazole;2,3,4,5,6-pentamethylpyridine;2,4,5-trimethyl-1,3-thiazole?
3,5-dimethyl-1,2-oxazole;2,5-dimethylpyrazine;4,6-dimethylpyrimidine;2,5-dimethyl-1,3,4-thiadiazole;2,3,4,5,6-pentamethylpyridine;2,4,5-trimethyl-1,3-thiazole has a molecular weight of 704.03 g/mol, XLogP of 9.33, 0 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1,2-oxazole;2,5-dimethylpyrazine;4,6-dimethylpyrimidine;2,5-dimethyl-1,3,4-thiadiazole;2,3,4,5,6-pentamethylpyridine;2,4,5-trimethyl-1,3-thiazole is sourced from PubChem (CID 157099500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).