2-(1-cyclohepta-2,4,6-trien-1-yl-3-methylpentan-2-yl)-1,3-thiazole

C16H21NS — CID 134548981

IUPAC2-(1-cyclohepta-2,4,6-trien-1-yl-3-methylpentan-2-yl)-1,3-thiazole
SMILESCCC(C)C(CC1C=CC=CC=C1)c1nccs1
InChIInChI=1S/C16H21NS/c1-3-13(2)15(16-17-10-11-18-16)12-14-8-6-4-5-7-9-14/h4-11,13-15H,3,12H2,1-2H3
InChIKeyMVVBQKDSYULUTO-UHFFFAOYSA-N
MW259.42 g/mol
LogP4.96
Rot. Bonds5

About 2-(1-cyclohepta-2,4,6-trien-1-yl-3-methylpentan-2-yl)-1,3-thiazole

2-(1-cyclohepta-2,4,6-trien-1-yl-3-methylpentan-2-yl)-1,3-thiazole (PubChem CID 134548981) has the molecular formula C16H21NS and a molecular weight of 259.42 g/mol. Its IUPAC name is 2-(1-cyclohepta-2,4,6-trien-1-yl-3-methylpentan-2-yl)-1,3-thiazole.

Molecular Properties

Compound Name2-(1-cyclohepta-2,4,6-trien-1-yl-3-methylpentan-2-yl)-1,3-thiazole
PubChem CID134548981
Molecular FormulaC16H21NS
Molecular Weight259.42 g/mol
Exact Mass259.14
IUPAC Name2-(1-cyclohepta-2,4,6-trien-1-yl-3-methylpentan-2-yl)-1,3-thiazole
SMILESCCC(C)C(CC1C=CC=CC=C1)c1nccs1
InChIInChI=1S/C16H21NS/c1-3-13(2)15(16-17-10-11-18-16)12-14-8-6-4-5-7-9-14/h4-11,13-15H,3,12H2,1-2H3
InChIKeyMVVBQKDSYULUTO-UHFFFAOYSA-N
XLogP4.96
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.42
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(1-cyclohepta-2,4,6-trien-1-yl-3-methylpentan-2-yl)-1,3-thiazole with MolForge

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Related Compounds

N,2-dimethyl-1-(1,3-thiazol-2-yl)butan-1-amine
CID 61330921
2-(1-bromopropan-2-yl)-1,3-thiazole
CID 66470662
ethane;1-(1,3-thiazol-2-yl)propan-1-amine
CID 170585159
2-(5-methyl-4-phenylhexan-3-yl)-1,3-thiazole
CID 90941742
2-(1,3-thiazol-2-yl)butan-1-ol
CID 116987101
2-(1-methoxypropan-2-yl)-1,3-thiazole
CID 162112968
2-(1-iodoethyl)-1,3-thiazole
CID 89231680
ethyl 2-(1,3-thiazol-2-yl)propanoate
CID 158867991
N-[1-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 46785149
[(1S)-1-(1,3-thiazol-2-yl)propyl]hydrazine
CID 124537574
(2R)-2-[[(1R)-1-(1,3-thiazol-2-yl)ethyl]amino]butan-1-ol
CID 96824361
(2R)-2-[[(1S)-1-(1,3-thiazol-2-yl)ethyl]amino]butan-1-ol
CID 96824359

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclohepta-2,4,6-trien-1-yl-3-methylpentan-2-yl)-1,3-thiazole?
The IUPAC name of 2-(1-cyclohepta-2,4,6-trien-1-yl-3-methylpentan-2-yl)-1,3-thiazole (CID 134548981) is 2-(1-cyclohepta-2,4,6-trien-1-yl-3-methylpentan-2-yl)-1,3-thiazole.
What is the SMILES notation for 2-(1-cyclohepta-2,4,6-trien-1-yl-3-methylpentan-2-yl)-1,3-thiazole?
The canonical SMILES for 2-(1-cyclohepta-2,4,6-trien-1-yl-3-methylpentan-2-yl)-1,3-thiazole is CCC(C)C(CC1C=CC=CC=C1)c1nccs1.
What is the InChIKey of 2-(1-cyclohepta-2,4,6-trien-1-yl-3-methylpentan-2-yl)-1,3-thiazole?
The InChIKey is MVVBQKDSYULUTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NS/c1-3-13(2)15(16-17-10-11-18-16)12-14-8-6-4-5-7-9-14/h4-11,13-15H,3,12H2,1-2H3.
What are the key properties of 2-(1-cyclohepta-2,4,6-trien-1-yl-3-methylpentan-2-yl)-1,3-thiazole?
2-(1-cyclohepta-2,4,6-trien-1-yl-3-methylpentan-2-yl)-1,3-thiazole has a molecular weight of 259.42 g/mol, XLogP of 4.96, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclohepta-2,4,6-trien-1-yl-3-methylpentan-2-yl)-1,3-thiazole is sourced from PubChem (CID 134548981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).