2-(1-ethoxy-2,2-dimethylpropyl)-4-phenyl-1,3-thiazole

C16H21NOS — CID 116734555

IUPAC2-(1-ethoxy-2,2-dimethylpropyl)-4-phenyl-1,3-thiazole
SMILESCCOC(c1nc(-c2ccccc2)cs1)C(C)(C)C
InChIInChI=1S/C16H21NOS/c1-5-18-14(16(2,3)4)15-17-13(11-19-15)12-9-7-6-8-10-12/h6-11,14H,5H2,1-4H3
InChIKeyZTAKOHMRGUNNDT-UHFFFAOYSA-N
MW275.42 g/mol
LogP4.93
Rot. Bonds4

About 2-(1-ethoxy-2,2-dimethylpropyl)-4-phenyl-1,3-thiazole

2-(1-ethoxy-2,2-dimethylpropyl)-4-phenyl-1,3-thiazole (PubChem CID 116734555) has the molecular formula C16H21NOS and a molecular weight of 275.42 g/mol. Its IUPAC name is 2-(1-ethoxy-2,2-dimethylpropyl)-4-phenyl-1,3-thiazole.

Molecular Properties

Compound Name2-(1-ethoxy-2,2-dimethylpropyl)-4-phenyl-1,3-thiazole
PubChem CID116734555
Molecular FormulaC16H21NOS
Molecular Weight275.42 g/mol
Exact Mass275.13
IUPAC Name2-(1-ethoxy-2,2-dimethylpropyl)-4-phenyl-1,3-thiazole
SMILESCCOC(c1nc(-c2ccccc2)cs1)C(C)(C)C
InChIInChI=1S/C16H21NOS/c1-5-18-14(16(2,3)4)15-17-13(11-19-15)12-9-7-6-8-10-12/h6-11,14H,5H2,1-4H3
InChIKeyZTAKOHMRGUNNDT-UHFFFAOYSA-N
XLogP4.93
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-phenyl-2-propan-2-yl-1,3-thiazole
CID 604821
3-methyl-2-(4-phenyl-1,3-thiazol-2-yl)butan-1-ol
CID 116967334
N-[[2-(1-ethoxy-2,2-dimethylpropyl)-1,3-thiazol-4-yl]methyl]ethanamine
CID 116727895
2-(3-ethoxypentan-3-yl)-4-phenyl-1,3-thiazole
CID 116782667
3-[2-(1-methoxy-2,2-dimethylpropyl)-1,3-thiazol-4-yl]benzonitrile
CID 116732250
3-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine
CID 116965041
3-methyl-2-(4-phenyl-1,3-thiazol-2-yl)butanoic acid
CID 116967222
4-(1-ethoxy-2,2-dimethylpropyl)-6-phenyl-1,3,5-triazin-2-amine
CID 116734103
2,3-dimethyl-1-(4-phenyl-1,3-thiazol-2-yl)butan-2-amine
CID 79820016
1-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-2,2-dimethylpropan-1-amine
CID 61337689
4-phenyl-2-(1-piperazin-1-ylpropyl)-1,3-thiazole
CID 63342212
4-(3-bromophenyl)-2-[cyclopropyl(ethoxy)methyl]-1,3-thiazole
CID 116734463

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxy-2,2-dimethylpropyl)-4-phenyl-1,3-thiazole?
The IUPAC name of 2-(1-ethoxy-2,2-dimethylpropyl)-4-phenyl-1,3-thiazole (CID 116734555) is 2-(1-ethoxy-2,2-dimethylpropyl)-4-phenyl-1,3-thiazole.
What is the SMILES notation for 2-(1-ethoxy-2,2-dimethylpropyl)-4-phenyl-1,3-thiazole?
The canonical SMILES for 2-(1-ethoxy-2,2-dimethylpropyl)-4-phenyl-1,3-thiazole is CCOC(c1nc(-c2ccccc2)cs1)C(C)(C)C.
What is the InChIKey of 2-(1-ethoxy-2,2-dimethylpropyl)-4-phenyl-1,3-thiazole?
The InChIKey is ZTAKOHMRGUNNDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NOS/c1-5-18-14(16(2,3)4)15-17-13(11-19-15)12-9-7-6-8-10-12/h6-11,14H,5H2,1-4H3.
What are the key properties of 2-(1-ethoxy-2,2-dimethylpropyl)-4-phenyl-1,3-thiazole?
2-(1-ethoxy-2,2-dimethylpropyl)-4-phenyl-1,3-thiazole has a molecular weight of 275.42 g/mol, XLogP of 4.93, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxy-2,2-dimethylpropyl)-4-phenyl-1,3-thiazole is sourced from PubChem (CID 116734555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).