4-methyl-2-[4-(2-methylpropoxy)-3-(nitrosomethyl)phenyl]-1,3-thiazole

C15H18N2O2S — CID 123642320

IUPAC4-methyl-2-[4-(2-methylpropoxy)-3-(nitrosomethyl)phenyl]-1,3-thiazole
SMILESCc1csc(-c2ccc(OCC(C)C)c(CN=O)c2)n1
InChIInChI=1S/C15H18N2O2S/c1-10(2)8-19-14-5-4-12(6-13(14)7-16-18)15-17-11(3)9-20-15/h4-6,9-10H,7-8H2,1-3H3
InChIKeyZICOARWNBXDYCM-UHFFFAOYSA-N
MW290.39 g/mol
LogP4.42
Rot. Bonds6

About 4-methyl-2-[4-(2-methylpropoxy)-3-(nitrosomethyl)phenyl]-1,3-thiazole

4-methyl-2-[4-(2-methylpropoxy)-3-(nitrosomethyl)phenyl]-1,3-thiazole (PubChem CID 123642320) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is 4-methyl-2-[4-(2-methylpropoxy)-3-(nitrosomethyl)phenyl]-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-2-[4-(2-methylpropoxy)-3-(nitrosomethyl)phenyl]-1,3-thiazole
PubChem CID123642320
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name4-methyl-2-[4-(2-methylpropoxy)-3-(nitrosomethyl)phenyl]-1,3-thiazole
SMILESCc1csc(-c2ccc(OCC(C)C)c(CN=O)c2)n1
InChIInChI=1S/C15H18N2O2S/c1-10(2)8-19-14-5-4-12(6-13(14)7-16-18)15-17-11(3)9-20-15/h4-6,9-10H,7-8H2,1-3H3
InChIKeyZICOARWNBXDYCM-UHFFFAOYSA-N
XLogP4.42
TPSA51.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[4-(2-methylpropoxy)-3-(nitrosomethyl)phenyl]-1,3-thiazole?
The IUPAC name of 4-methyl-2-[4-(2-methylpropoxy)-3-(nitrosomethyl)phenyl]-1,3-thiazole (CID 123642320) is 4-methyl-2-[4-(2-methylpropoxy)-3-(nitrosomethyl)phenyl]-1,3-thiazole.
What is the SMILES notation for 4-methyl-2-[4-(2-methylpropoxy)-3-(nitrosomethyl)phenyl]-1,3-thiazole?
The canonical SMILES for 4-methyl-2-[4-(2-methylpropoxy)-3-(nitrosomethyl)phenyl]-1,3-thiazole is Cc1csc(-c2ccc(OCC(C)C)c(CN=O)c2)n1.
What is the InChIKey of 4-methyl-2-[4-(2-methylpropoxy)-3-(nitrosomethyl)phenyl]-1,3-thiazole?
The InChIKey is ZICOARWNBXDYCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-10(2)8-19-14-5-4-12(6-13(14)7-16-18)15-17-11(3)9-20-15/h4-6,9-10H,7-8H2,1-3H3.
What are the key properties of 4-methyl-2-[4-(2-methylpropoxy)-3-(nitrosomethyl)phenyl]-1,3-thiazole?
4-methyl-2-[4-(2-methylpropoxy)-3-(nitrosomethyl)phenyl]-1,3-thiazole has a molecular weight of 290.39 g/mol, XLogP of 4.42, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[4-(2-methylpropoxy)-3-(nitrosomethyl)phenyl]-1,3-thiazole is sourced from PubChem (CID 123642320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).