2-(5-methyl-4-phenylhexan-3-yl)-1,3-thiazole

C16H21NS — CID 90941742

IUPAC2-(5-methyl-4-phenylhexan-3-yl)-1,3-thiazole
SMILESCCC(c1nccs1)C(c1ccccc1)C(C)C
InChIInChI=1S/C16H21NS/c1-4-14(16-17-10-11-18-16)15(12(2)3)13-8-6-5-7-9-13/h5-12,14-15H,4H2,1-3H3
InChIKeyMTIZUNAWGBICPZ-UHFFFAOYSA-N
MW259.42 g/mol
LogP5.08
Rot. Bonds5

About 2-(5-methyl-4-phenylhexan-3-yl)-1,3-thiazole

2-(5-methyl-4-phenylhexan-3-yl)-1,3-thiazole (PubChem CID 90941742) has the molecular formula C16H21NS and a molecular weight of 259.42 g/mol. Its IUPAC name is 2-(5-methyl-4-phenylhexan-3-yl)-1,3-thiazole.

Molecular Properties

Compound Name2-(5-methyl-4-phenylhexan-3-yl)-1,3-thiazole
PubChem CID90941742
Molecular FormulaC16H21NS
Molecular Weight259.42 g/mol
Exact Mass259.14
IUPAC Name2-(5-methyl-4-phenylhexan-3-yl)-1,3-thiazole
SMILESCCC(c1nccs1)C(c1ccccc1)C(C)C
InChIInChI=1S/C16H21NS/c1-4-14(16-17-10-11-18-16)15(12(2)3)13-8-6-5-7-9-13/h5-12,14-15H,4H2,1-3H3
InChIKeyMTIZUNAWGBICPZ-UHFFFAOYSA-N
XLogP5.08
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500259.42
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-[(S)-phenyl(1,3-thiazol-2-yl)methyl]butan-2-amine
CID 124570142
1-phenyl-N-[2-(1,3-thiazol-2-yl)propyl]propan-1-amine
CID 113429643
(R)-phenyl(1,3-thiazol-2-yl)methanol
CID 10511917
ethane;phenyl(1,3-thiazol-2-yl)methanol;hydrate
CID 142101108
4,5-diphenyl-2-(1,3-thiazol-2-yl)hexanoic acid
CID 69003827
(1R)-1-phenyl-3-[1-(1,3-thiazol-2-yl)ethylamino]propan-1-ol
CID 112742116
2-phenyl-2-(1,3-thiazol-2-yl)acetic acid
CID 115006319
ethane;1-(1,3-thiazol-2-yl)propan-1-amine
CID 170585159
2-(1-bromopropan-2-yl)-1,3-thiazole
CID 66470662
N-[(4-phenylphenyl)-(1,3-thiazol-2-yl)methyl]ethanamine
CID 61329994
3-amino-3-phenyl-N-[1-(1,3-thiazol-2-yl)propyl]propanamide;dihydrochloride
CID 119954007
1-phenyl-N-(1,3-thiazol-2-ylmethyl)propan-1-amine
CID 61285407

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-4-phenylhexan-3-yl)-1,3-thiazole?
The IUPAC name of 2-(5-methyl-4-phenylhexan-3-yl)-1,3-thiazole (CID 90941742) is 2-(5-methyl-4-phenylhexan-3-yl)-1,3-thiazole.
What is the SMILES notation for 2-(5-methyl-4-phenylhexan-3-yl)-1,3-thiazole?
The canonical SMILES for 2-(5-methyl-4-phenylhexan-3-yl)-1,3-thiazole is CCC(c1nccs1)C(c1ccccc1)C(C)C.
What is the InChIKey of 2-(5-methyl-4-phenylhexan-3-yl)-1,3-thiazole?
The InChIKey is MTIZUNAWGBICPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NS/c1-4-14(16-17-10-11-18-16)15(12(2)3)13-8-6-5-7-9-13/h5-12,14-15H,4H2,1-3H3.
What are the key properties of 2-(5-methyl-4-phenylhexan-3-yl)-1,3-thiazole?
2-(5-methyl-4-phenylhexan-3-yl)-1,3-thiazole has a molecular weight of 259.42 g/mol, XLogP of 5.08, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-4-phenylhexan-3-yl)-1,3-thiazole is sourced from PubChem (CID 90941742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).