2-(2-phenylmethoxypropyl)-5-propan-2-yl-1,3-thiazole

C16H21NOS — CID 146604365

IUPAC2-(2-phenylmethoxypropyl)-5-propan-2-yl-1,3-thiazole
SMILESCC(Cc1ncc(C(C)C)s1)OCc1ccccc1
InChIInChI=1S/C16H21NOS/c1-12(2)15-10-17-16(19-15)9-13(3)18-11-14-7-5-4-6-8-14/h4-8,10,12-13H,9,11H2,1-3H3
InChIKeyBJGPSIBEHVBIKG-UHFFFAOYSA-N
MW275.42 g/mol
LogP4.41
Rot. Bonds6

About 2-(2-phenylmethoxypropyl)-5-propan-2-yl-1,3-thiazole

2-(2-phenylmethoxypropyl)-5-propan-2-yl-1,3-thiazole (PubChem CID 146604365) has the molecular formula C16H21NOS and a molecular weight of 275.42 g/mol. Its IUPAC name is 2-(2-phenylmethoxypropyl)-5-propan-2-yl-1,3-thiazole.

Molecular Properties

Compound Name2-(2-phenylmethoxypropyl)-5-propan-2-yl-1,3-thiazole
PubChem CID146604365
Molecular FormulaC16H21NOS
Molecular Weight275.42 g/mol
Exact Mass275.13
IUPAC Name2-(2-phenylmethoxypropyl)-5-propan-2-yl-1,3-thiazole
SMILESCC(Cc1ncc(C(C)C)s1)OCc1ccccc1
InChIInChI=1S/C16H21NOS/c1-12(2)15-10-17-16(19-15)9-13(3)18-11-14-7-5-4-6-8-14/h4-8,10,12-13H,9,11H2,1-3H3
InChIKeyBJGPSIBEHVBIKG-UHFFFAOYSA-N
XLogP4.41
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 ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(phenylmethoxymethyl)-1,3-thiazol-5-yl]ethanamine
CID 130949962
1-[2-(2-phenylethyl)-1,3-thiazol-5-yl]ethanol
CID 62651396
butan-2-yloxymethylbenzene;ethane
CID 161043537
[(2R)-3-methylbutan-2-yl]oxymethylbenzene
CID 59976472
(2-amino-2-oxo-1-phenylethyl) 2-(5-propan-2-yl-1,3-thiazol-2-yl)acetate
CID 57042623
(2S)-3-phenyl-2-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]propanoic acid
CID 122049518
(2R,5R)-5-phenylmethoxyhexan-2-ol
CID 13411955
1-chloroethoxymethylbenzene
CID 12510706
[(1S)-1-cyclopropylethoxy]methylbenzene
CID 144674545
1-butoxypropan-2-yloxymethylbenzene
CID 12963722
(3S)-2,3-dimethyl-5-phenylmethoxyhexanoic acid
CID 175615592
4-[5-(4-phenylmethoxypentyl)pyrimidin-2-yl]phenol
CID 139657317

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylmethoxypropyl)-5-propan-2-yl-1,3-thiazole?
The IUPAC name of 2-(2-phenylmethoxypropyl)-5-propan-2-yl-1,3-thiazole (CID 146604365) is 2-(2-phenylmethoxypropyl)-5-propan-2-yl-1,3-thiazole.
What is the SMILES notation for 2-(2-phenylmethoxypropyl)-5-propan-2-yl-1,3-thiazole?
The canonical SMILES for 2-(2-phenylmethoxypropyl)-5-propan-2-yl-1,3-thiazole is CC(Cc1ncc(C(C)C)s1)OCc1ccccc1.
What is the InChIKey of 2-(2-phenylmethoxypropyl)-5-propan-2-yl-1,3-thiazole?
The InChIKey is BJGPSIBEHVBIKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NOS/c1-12(2)15-10-17-16(19-15)9-13(3)18-11-14-7-5-4-6-8-14/h4-8,10,12-13H,9,11H2,1-3H3.
What are the key properties of 2-(2-phenylmethoxypropyl)-5-propan-2-yl-1,3-thiazole?
2-(2-phenylmethoxypropyl)-5-propan-2-yl-1,3-thiazole has a molecular weight of 275.42 g/mol, XLogP of 4.41, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylmethoxypropyl)-5-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 146604365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).