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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Related Compounds

[2-[3-methoxy-4-(2-methylpropoxy)phenyl]-1,3-thiazol-4-yl]methanethiol
CID 82515904
2-[(4-methylphenyl)methoxy]-5-(4-methyl-1,3-thiazol-2-yl)aniline
CID 94758930
4-methyl-2-[3-[(2R)-2-methyl-3-methylsulfonylpropoxy]phenyl]-1,3-thiazole
CID 97008473
2-[3-carboxy-4-(2-methylpropoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 46849410
2-[4-(2-methylpropoxy)phenyl]-1,3-thiazole-4-carbaldehyde
CID 82516005
4-methyl-2-(1-methylindazol-6-yl)-1,3-thiazole
CID 166386367
5-(2-ethyl-1,3-thiazol-4-yl)-2-(2-methylpropoxy)aniline
CID 82057810
2-methyl-4-(4-methyl-1,3-thiazol-2-yl)phenol
CID 136992886
2-[3-cyano-4-(2-methylpropoxy)phenyl]-5-methyl-1,3-thiazole-4-carboxylic acid
CID 152753455
methyl (2S)-4-methyl-2-[[2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetyl]amino]pentanoate
CID 9123652
4-methyl-N-[[4-(4-methyl-1,3-thiazol-2-yl)phenyl]methyl]pentanamide
CID 87050246
3-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]-N-propan-2-ylpropan-1-amine
CID 62598247

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).