2-(3-ethoxypentan-3-yl)-4-phenyl-1,3-thiazole

C16H21NOS — CID 116782667

IUPAC2-(3-ethoxypentan-3-yl)-4-phenyl-1,3-thiazole
SMILESCCOC(CC)(CC)c1nc(-c2ccccc2)cs1
InChIInChI=1S/C16H21NOS/c1-4-16(5-2,18-6-3)15-17-14(12-19-15)13-10-8-7-9-11-13/h7-12H,4-6H2,1-3H3
InChIKeyIBPKJBMYXWBSKU-UHFFFAOYSA-N
MW275.42 g/mol
LogP4.86
Rot. Bonds6

About 2-(3-ethoxypentan-3-yl)-4-phenyl-1,3-thiazole

2-(3-ethoxypentan-3-yl)-4-phenyl-1,3-thiazole (PubChem CID 116782667) has the molecular formula C16H21NOS and a molecular weight of 275.42 g/mol. Its IUPAC name is 2-(3-ethoxypentan-3-yl)-4-phenyl-1,3-thiazole.

Molecular Properties

Compound Name2-(3-ethoxypentan-3-yl)-4-phenyl-1,3-thiazole
PubChem CID116782667
Molecular FormulaC16H21NOS
Molecular Weight275.42 g/mol
Exact Mass275.13
IUPAC Name2-(3-ethoxypentan-3-yl)-4-phenyl-1,3-thiazole
SMILESCCOC(CC)(CC)c1nc(-c2ccccc2)cs1
InChIInChI=1S/C16H21NOS/c1-4-16(5-2,18-6-3)15-17-14(12-19-15)13-10-8-7-9-11-13/h7-12H,4-6H2,1-3H3
InChIKeyIBPKJBMYXWBSKU-UHFFFAOYSA-N
XLogP4.86
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-3-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine
CID 116965174
[2-(3-ethoxypentan-3-yl)-1,3-thiazol-4-yl]methanol
CID 116782415
2-(1-ethoxy-2,2-dimethylpropyl)-4-phenyl-1,3-thiazole
CID 116734555
2-[2-(3-ethoxypentan-3-yl)-1,3-thiazol-4-yl]acetic acid
CID 116744488
N-[[2-(3-ethoxypentan-3-yl)-1,3-thiazol-4-yl]methyl]ethanamine
CID 116774720
3-methyl-3-(4-phenyl-1,3-thiazol-2-yl)butanoic acid
CID 116965761
4-(2-bromophenyl)-2-(2-ethoxypropan-2-yl)-1,3-thiazole
CID 116734452
3-ethyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]pentan-3-amine
CID 65039690
3-ethyl-3-methoxy-1-(4-phenyl-1,3-thiazol-2-yl)pentan-2-amine
CID 116760500
2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]-4-phenyl-1,3-thiazole
CID 16566864
ethane;4-phenyl-1,3-thiazol-2-amine
CID 91233366
N-[[2-(3-ethoxypentan-3-yl)-1,3-thiazol-4-yl]methyl]butan-2-amine
CID 102929510

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxypentan-3-yl)-4-phenyl-1,3-thiazole?
The IUPAC name of 2-(3-ethoxypentan-3-yl)-4-phenyl-1,3-thiazole (CID 116782667) is 2-(3-ethoxypentan-3-yl)-4-phenyl-1,3-thiazole.
What is the SMILES notation for 2-(3-ethoxypentan-3-yl)-4-phenyl-1,3-thiazole?
The canonical SMILES for 2-(3-ethoxypentan-3-yl)-4-phenyl-1,3-thiazole is CCOC(CC)(CC)c1nc(-c2ccccc2)cs1.
What is the InChIKey of 2-(3-ethoxypentan-3-yl)-4-phenyl-1,3-thiazole?
The InChIKey is IBPKJBMYXWBSKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NOS/c1-4-16(5-2,18-6-3)15-17-14(12-19-15)13-10-8-7-9-11-13/h7-12H,4-6H2,1-3H3.
What are the key properties of 2-(3-ethoxypentan-3-yl)-4-phenyl-1,3-thiazole?
2-(3-ethoxypentan-3-yl)-4-phenyl-1,3-thiazole has a molecular weight of 275.42 g/mol, XLogP of 4.86, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxypentan-3-yl)-4-phenyl-1,3-thiazole is sourced from PubChem (CID 116782667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).