3,5-dimethyl-4-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methylsulfanylmethyl]-1,2-oxazole

C14H16N4OS2 — CID 71936185

IUPAC3,5-dimethyl-4-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methylsulfanylmethyl]-1,2-oxazole
SMILESCc1noc(C)c1CSCc1csc(-c2cnn(C)c2)n1
InChIInChI=1S/C14H16N4OS2/c1-9-13(10(2)19-17-9)8-20-6-12-7-21-14(16-12)11-4-15-18(3)5-11/h4-5,7H,6,8H2,1-3H3
InChIKeyYCNWHOIZGJRBKP-UHFFFAOYSA-N
MW320.44 g/mol
LogP3.58
Rot. Bonds5

About 3,5-dimethyl-4-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methylsulfanylmethyl]-1,2-oxazole

3,5-dimethyl-4-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methylsulfanylmethyl]-1,2-oxazole (PubChem CID 71936185) has the molecular formula C14H16N4OS2 and a molecular weight of 320.44 g/mol. Its IUPAC name is 3,5-dimethyl-4-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methylsulfanylmethyl]-1,2-oxazole.

Molecular Properties

Compound Name3,5-dimethyl-4-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methylsulfanylmethyl]-1,2-oxazole
PubChem CID71936185
Molecular FormulaC14H16N4OS2
Molecular Weight320.44 g/mol
Exact Mass320.08
IUPAC Name3,5-dimethyl-4-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methylsulfanylmethyl]-1,2-oxazole
SMILESCc1noc(C)c1CSCc1csc(-c2cnn(C)c2)n1
InChIInChI=1S/C14H16N4OS2/c1-9-13(10(2)19-17-9)8-20-6-12-7-21-14(16-12)11-4-15-18(3)5-11/h4-5,7H,6,8H2,1-3H3
InChIKeyYCNWHOIZGJRBKP-UHFFFAOYSA-N
XLogP3.58
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methylsulfanylmethyl]-1,2-oxazole?
The IUPAC name of 3,5-dimethyl-4-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methylsulfanylmethyl]-1,2-oxazole (CID 71936185) is 3,5-dimethyl-4-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methylsulfanylmethyl]-1,2-oxazole.
What is the SMILES notation for 3,5-dimethyl-4-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methylsulfanylmethyl]-1,2-oxazole?
The canonical SMILES for 3,5-dimethyl-4-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methylsulfanylmethyl]-1,2-oxazole is Cc1noc(C)c1CSCc1csc(-c2cnn(C)c2)n1.
What is the InChIKey of 3,5-dimethyl-4-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methylsulfanylmethyl]-1,2-oxazole?
The InChIKey is YCNWHOIZGJRBKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4OS2/c1-9-13(10(2)19-17-9)8-20-6-12-7-21-14(16-12)11-4-15-18(3)5-11/h4-5,7H,6,8H2,1-3H3.
What are the key properties of 3,5-dimethyl-4-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methylsulfanylmethyl]-1,2-oxazole?
3,5-dimethyl-4-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methylsulfanylmethyl]-1,2-oxazole has a molecular weight of 320.44 g/mol, XLogP of 3.58, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methylsulfanylmethyl]-1,2-oxazole is sourced from PubChem (CID 71936185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).